1-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one

Systemtic Name: 1-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one Openeye Name: 1-[3-nitro-5-(p-tolylsulfanyl)-1,2,4-triazol-1-yl]propan-2-one CAS Name: 1-[5-[(4-methylphenyl)thio]-3-nitro-1,2,4-triazol-1-yl]-2-propanone IUPAC Name: 1-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]propan-2-one Traditional Name: 1-[3-nitro-5-(p-tolylthio)-1,2,4-triazol-1-yl]acetone Formula: C12H12N4O3S MolecularWeight: 292.31368

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)SC2=NC(=NN2CC(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H12N4O3S/c1-8-3-5-10(6-4-8)20-12-13-11(16(18)19)14-15(12)7-9(2)17/h3-6H,7H2,1-2H3