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

Systemtic Name: N-[[2-(3-chloranyl-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-ethanamide Openeye Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]carbamothioyl]-2-phenyl-acetamide CAS Name: N-[[[2-(3-chloro-4-methylphenyl)-5-benzotriazolyl]amino]-sulfanylidenemethyl]-2-phenylacetamide IUPAC Name: N-[[2-(3-chloro-4-methylphenyl)benzotriazol-5-yl]carbamothioyl]-2-phenylacetamide Traditional Name: N-[[2-(3-chloro-4-methyl-phenyl)benzotriazol-5-yl]thiocarbamoyl]-2-phenyl-acetamide Formula: C22H18ClN5OS MolecularWeight: 435.92922

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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)CC4=CC=CC=C4)Cl

Isomeric SMILES

CC1=C(C=C(C=C1)N2N=C3C=CC(=CC3=N2)NC(=S)NC(=O)CC4=CC=CC=C4)Cl

InChI

InChI=1S/C22H18ClN5OS/c1-14-7-9-17(13-18(14)23)28-26-19-10-8-16(12-20(19)27-28)24-22(30)25-21(29)11-15-5-3-2-4-6-15/h2-10,12-13H,11H2,1H3,(H2,24,25,29,30)