2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-phenyl-but-3-enethioamide

Systemtic Name: 2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-phenyl-but-3-enethioamide Openeye Name: 2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-phenyl-but-3-enethioamide CAS Name: 2-(1-benzotriazolyl)-2-[(2-chlorophenyl)methyl]-N-phenyl-3-butenethioamide IUPAC Name: 2-(benzotriazol-1-yl)-2-[(2-chlorophenyl)methyl]-N-phenylbut-3-enethioamide Traditional Name: 2-(benzotriazol-1-yl)-2-(2-chlorobenzyl)-N-phenyl-but-3-enethioamide Formula: C23H19ClN4S MolecularWeight: 418.94176

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Descriptors Computed from Structure

Canonical SMILES:

C=CC(CC1=CC=CC=C1Cl)(C(=S)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

Isomeric SMILES

C=CC(CC1=CC=CC=C1Cl)(C(=S)NC2=CC=CC=C2)N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C23H19ClN4S/c1-2-23(16-17-10-6-7-13-19(17)24,22(29)25-18-11-4-3-5-12-18)28-21-15-9-8-14-20(21)26-27-28/h2-15H,1,16H2,(H,25,29)