N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-ethanamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanyl-acetamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-[(4-chlorophenyl)thio]acetamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-(4-chlorophenyl)sulfanylacetamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]-2-[(4-chlorophenyl)thio]acetamide Formula: C22H17Cl2N5OS2 MolecularWeight: 502.43928

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CSC4=CC=C(C=C4)Cl)Cl

InChI

InChI=1S/C22H17Cl2N5OS2/c1-13-2-6-16(11-18(13)24)29-27-19-9-5-15(10-20(19)28-29)25-22(31)26-21(30)12-32-17-7-3-14(23)4-8-17/h2-11H,12H2,1H3,(H2,25,26,30,31)