IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,,4-tria

[Synonyms]

[Structure]

[ Properties Computed from Structure]

Molecular Weight	582.54386 [g/mol]
Molecular Formula	C29H29Cl2N5O2S
XLogP	10.3
H-Bond Donor	2
H-Bond Acceptor	6
Rotatable Bond Count	10
Tautomer Count	2
Exact Mass	581.141901
MonoIsotopic Mass	581.141901
Topological Polar Surface Area	81.1
Heavy Atom Count	39
Formal Charge	0
Complexity	814
Isotope Atom Count	0
Defined Atom StereoCenter Count	0
Undefined Atom StereoCenter Count	0
Defined Bond StereoCenter Count	0
Undefined Bond StereoCenter Count	0
Covalently-Bonded Unit Count	1

[ Descriptors Computed from Structure]
IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-(4-methoxyphenyl)-1,2,
4-triazol-3-yl]sulfanyl]-N'-[1-(2,
4-dichlorophenyl)ethenyl]acetohydrazide
Canonical SMILES: CC(C)(C)C1=CC=C(C=C1)C2=NN=C(N2C3=CC=C(C=C3)OC)SCC(=O)NNC(=C)C4=C(C=C(C=
C4)Cl)Cl
InChI: InChI=1/C29H29Cl2N5O2S/c1-18(24-15-10-21(30)16-25(24)31)32-33-26(37)17-
39-28-35-34-27(19-6-8-20(9-7-19)29(2,
3)4)36(28)22-11-13-23(38-5)14-12-22/h6-16,32H,1,17H2,2-5H3,(H,33,
37)/f/h33H