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

Systemtic Name: N-[[4-methyl-5-[2-(3-nitrophenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Openeye Name: N-[[4-methyl-5-[2-(3-nitrophenyl)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide CAS Name: N-[[4-methyl-5-[[2-(3-nitrophenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-2-furancarboxamide IUPAC Name: N-[[4-methyl-5-[2-(3-nitrophenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]furan-2-carboxamide Traditional Name: N-[[5-[[2-keto-2-(3-nitrophenyl)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-2-furamide Formula: C17H15N5O5S MolecularWeight: 401.3965

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)[N+](=O)[O-])CNC(=O)C3=CC=CO3

InChI

InChI=1S/C17H15N5O5S/c1-21-15(9-18-16(24)14-6-3-7-27-14)19-20-17(21)28-10-13(23)11-4-2-5-12(8-11)22(25)26/h2-8H,9-10H2,1H3,(H,18,24)