methyl 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate

Systemtic Name: methyl 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=CN2C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=CN2C3=CC=CC=C3

InChI

InChI=1S/C17H15N3O2S/c1-22-16(21)14-7-5-6-13(10-14)11-23-17-19-18-12-20(17)15-8-3-2-4-9-15/h2-10,12H,11H2,1H3