4-[3-[2-(4-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-ethoxy-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-(4-ethoxy-3-nitro-phenyl)-2-keto-ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C)[N+](=O)[O-]

InChI

InChI=1S/C19H18N4O5S/c1-3-28-17-9-6-13(10-15(17)23(26)27)16(25)11-29-19-21-20-18(22(19)2)12-4-7-14(24)8-5-12/h4-10,20H,3,11H2,1-2H3