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

Systemtic Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloranyl-4-(3-nitrophenyl)azetidin-2-one Openeye Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-nitrophenyl)azetidin-2-one CAS Name: 1-[3-(1-benzotriazolylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-nitrophenyl)-2-azetidinone IUPAC Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-nitrophenyl)azetidin-2-one Traditional Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-3-chloro-4-(3-nitrophenyl)azetidin-2-one Formula: C18H13ClN8O3S MolecularWeight: 456.86562

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3N4C(C(C4=O)Cl)C5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3N4C(C(C4=O)Cl)C5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C18H13ClN8O3S/c19-15-16(10-4-3-5-11(8-10)27(29)30)26(17(15)28)25-14(21-22-18(25)31)9-24-13-7-2-1-6-12(13)20-23-24/h1-8,15-16H,9H2,(H,22,31)