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

Systemtic Name: 4-[4-methyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Openeye Name: 4-[4-methyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one CAS Name: 4-[4-methyl-3-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-ylidene]-1-cyclohexa-2,5-dienone IUPAC Name: 4-[4-methyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Traditional Name: 4-[3-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]-4-methyl-1H-1,2,4-triazol-5-ylidene]cyclohexa-2,5-dien-1-one Formula: C18H16N4O4S MolecularWeight: 384.40904

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=C3C=CC(=O)C=C3)N2C)[N+](=O)[O-]

InChI

InChI=1S/C18H16N4O4S/c1-11-3-4-13(9-15(11)22(25)26)16(24)10-27-18-20-19-17(21(18)2)12-5-7-14(23)8-6-12/h3-9,19H,10H2,1-2H3