2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide

Systemtic Name: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-ethanamide Openeye Name: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide CAS Name: 2-[4-methyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]-N-phenylacetamide IUPAC Name: 2-[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]-N-phenylacetamide Traditional Name: 2-[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]-N-phenyl-acetamide Formula: C19H17N5O4S MolecularWeight: 411.43438

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CC(=O)NC3=CC=CC=C3

InChI

InChI=1S/C19H17N5O4S/c1-23-17(11-18(26)20-14-7-3-2-4-8-14)21-22-19(23)29-12-16(25)13-6-5-9-15(10-13)24(27)28/h2-10H,11-12H2,1H3,(H,20,26)