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

Systemtic Name: methyl 5-nitro-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzoate Openeye Name: methyl 5-nitro-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzoate CAS Name: 5-nitro-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]benzoic acid methyl ester IUPAC Name: methyl 5-nitro-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]benzoate Traditional Name: 5-nitro-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]benzoic acid methyl ester Formula: C16H12N4O4S MolecularWeight: 356.35588

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C(C=CC(=C1)[N+](=O)[O-])SC2=NN(C=N2)C3=CC=CC=C3

InChI

InChI=1S/C16H12N4O4S/c1-24-15(21)13-9-12(20(22)23)7-8-14(13)25-16-17-10-19(18-16)11-5-3-2-4-6-11/h2-10H,1H3