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

Systemtic Name: (3-chlorophenyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate Openeye Name: (3-chlorophenyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitro-benzoate CAS Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitrobenzoic acid (3-chlorophenyl) ester IUPAC Name: (3-chlorophenyl) 4-[(4-methyl-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzoate Traditional Name: 4-[(4-methyl-1,2,4-triazol-3-yl)thio]-3-nitro-benzoic acid (3-chlorophenyl) ester Formula: C16H11ClN4O4S MolecularWeight: 390.80094

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC(=CC=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CN1C=NN=C1SC2=C(C=C(C=C2)C(=O)OC3=CC(=CC=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C16H11ClN4O4S/c1-20-9-18-19-16(20)26-14-6-5-10(7-13(14)21(23)24)15(22)25-12-4-2-3-11(17)8-12/h2-9H,1H3