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

Systemtic Name: methyl 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]ethanoate Openeye Name: methyl 2-[3-nitro-5-(p-tolylsulfanyl)-1,2,4-triazol-1-yl]acetate CAS Name: 2-[5-[(4-methylphenyl)thio]-3-nitro-1,2,4-triazol-1-yl]acetic acid methyl ester IUPAC Name: methyl 2-[5-(4-methylphenyl)sulfanyl-3-nitro-1,2,4-triazol-1-yl]acetate Traditional Name: 2-[3-nitro-5-(p-tolylthio)-1,2,4-triazol-1-yl]acetic acid methyl ester Formula: C12H12N4O4S MolecularWeight: 308.31308

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H12N4O4S/c1-8-3-5-9(6-4-8)21-12-13-11(16(18)19)14-15(12)7-10(17)20-2/h3-6H,7H2,1-2H3