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

Systemtic Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloranyl-4-phenyl-azetidin-2-one Openeye Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-phenyl-azetidin-2-one CAS Name: 1-[3-(1-benzotriazolylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-phenyl-2-azetidinone IUPAC Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-phenylazetidin-2-one Traditional Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-phenyl-azetidin-2-one Formula: C18H14ClN7OS MolecularWeight: 411.86806

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN7OS/c19-15-16(11-6-2-1-3-7-11)26(17(15)27)25-14(21-22-18(25)28)10-24-13-9-5-4-8-12(13)20-23-24/h1-9,15-16H,10H2,(H,22,28)