1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloranyl-4-(4-methylphenyl)azetidin-2-one

Systemtic Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloranyl-4-(4-methylphenyl)azetidin-2-one Openeye Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-(p-tolyl)azetidin-2-one CAS Name: 1-[3-(1-benzotriazolylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-(4-methylphenyl)-2-azetidinone IUPAC Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-(4-methylphenyl)azetidin-2-one Traditional Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-(p-tolyl)azetidin-2-one Formula: C19H16ClN7OS MolecularWeight: 425.89464

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5N=N4)Cl

Isomeric SMILES

CC1=CC=C(C=C1)C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5N=N4)Cl

InChI

InChI=1S/C19H16ClN7OS/c1-11-6-8-12(9-7-11)17-16(20)18(28)27(17)26-15(22-23-19(26)29)10-25-14-5-3-2-4-13(14)21-24-25/h2-9,16-17H,10H2,1H3,(H,23,29)