4-[3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one

Systemtic Name: 4-[3-[2-(4-methoxy-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[3-[2-(4-methoxy-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[3-[[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[3-[2-(4-methoxy-3-nitrophenyl)-2-oxoethyl]sulfanyl-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[[2-keto-2-(4-methoxy-3-nitro-phenyl)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H16N4O5S MolecularWeight: 400.40844

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CN1C(=C2C=CC(=O)C=C2)NN=C1SCC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O5S/c1-21-17(11-3-6-13(23)7-4-11)19-20-18(21)28-10-15(24)12-5-8-16(27-2)14(9-12)22(25)26/h3-9,19H,10H2,1-2H3