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

Systemtic Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-(3-bromophenyl)-3-chloranyl-azetidin-2-one Openeye Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-4-(3-bromophenyl)-3-chloro-azetidin-2-one CAS Name: 1-[3-(1-benzotriazolylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-(3-bromophenyl)-3-chloro-2-azetidinone IUPAC Name: 1-[3-(benzotriazol-1-ylmethyl)-5-sulfanylidene-1H-1,2,4-triazol-4-yl]-4-(3-bromophenyl)-3-chloroazetidin-2-one Traditional Name: 1-[3-(benzotriazol-1-ylmethyl)-5-thioxo-1H-1,2,4-triazol-4-yl]-4-(3-bromophenyl)-3-chloro-azetidin-2-one Formula: C18H13BrClN7OS MolecularWeight: 490.76412

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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)Br

Isomeric SMILES

C1=CC=C2C(=C1)N=NN2CC3=NNC(=S)N3N4C(C(C4=O)Cl)C5=CC(=CC=C5)Br

InChI

InChI=1S/C18H13BrClN7OS/c19-11-5-3-4-10(8-11)16-15(20)17(28)27(16)26-14(22-23-18(26)29)9-25-13-7-2-1-6-12(13)21-24-25/h1-8,15-16H,9H2,(H,23,29)