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

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]ethanamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]acetamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]acetamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]acetamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]acetamide Formula: C16H14ClN5OS MolecularWeight: 359.83326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H14ClN5OS/c1-9-3-5-12(8-13(9)17)22-20-14-6-4-11(7-15(14)21-22)19-16(24)18-10(2)23/h3-8H,1-2H3,(H2,18,19,23,24)