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

Systemtic Name: 4-cyclopropyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl]sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-cyclopropyl-3-[2-(4-methyl-3-nitro-phenyl)-2-oxo-ethyl]sulfanyl-1H-1,2,4-triazol-5-one CAS Name: 4-cyclopropyl-3-[[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-cyclopropyl-3-[2-(4-methyl-3-nitrophenyl)-2-oxoethyl]sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-cyclopropyl-3-[[2-keto-2-(4-methyl-3-nitro-phenyl)ethyl]thio]-1H-1,2,4-triazol-5-one Formula: C14H14N4O4S MolecularWeight: 334.35036

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)CSC2=NNC(=O)N2C3CC3)[N+](=O)[O-]

InChI

InChI=1S/C14H14N4O4S/c1-8-2-3-9(6-11(8)18(21)22)12(19)7-23-14-16-15-13(20)17(14)10-4-5-10/h2-3,6,10H,4-5,7H2,1H3,(H,15,20)