[2-(benzotriazol-1-ylmethylsulfanyl)-5-chloranyl-phenyl]-(4-methylphenyl)methanone

Systemtic Name: [2-(benzotriazol-1-ylmethylsulfanyl)-5-chloranyl-phenyl]-(4-methylphenyl)methanone Openeye Name: [2-(benzotriazol-1-ylmethylsulfanyl)-5-chloro-phenyl]-(p-tolyl)methanone CAS Name: [2-(1-benzotriazolylmethylthio)-5-chlorophenyl]-(4-methylphenyl)methanone IUPAC Name: [2-(benzotriazol-1-ylmethylsulfanyl)-5-chlorophenyl]-(4-methylphenyl)methanone Traditional Name: [2-(benzotriazol-1-ylmethylthio)-5-chloro-phenyl]-(p-tolyl)methanone Formula: C21H16ClN3OS MolecularWeight: 393.88924

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)SCN3C4=CC=CC=C4N=N3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)C2=C(C=CC(=C2)Cl)SCN3C4=CC=CC=C4N=N3

InChI

InChI=1S/C21H16ClN3OS/c1-14-6-8-15(9-7-14)21(26)17-12-16(22)10-11-20(17)27-13-25-19-5-3-2-4-18(19)23-24-25/h2-12H,13H2,1H3