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

Systemtic Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloranyl-4-(3-methoxyphenyl)azetidin-2-one Openeye Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-methoxyphenyl)azetidin-2-one CAS Name: 1-[3-(1-benzotriazolylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-methoxyphenyl)-2-azetidinone IUPAC Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-methoxyphenyl)azetidin-2-one Traditional Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-methoxyphenyl)azetidin-2-one Formula: C19H16ClN7O2S MolecularWeight: 441.89404

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5N=N4)Cl

Isomeric SMILES

COC1=CC=CC(=C1)C2C(C(=O)N2N3C(=NNC3=S)CN4C5=CC=CC=C5N=N4)Cl

InChI

InChI=1S/C19H16ClN7O2S/c1-29-12-6-4-5-11(9-12)17-16(20)18(28)27(17)26-15(22-23-19(26)30)10-25-14-8-3-2-7-13(14)21-24-25/h2-9,16-17H,10H2,1H3,(H,23,30)