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

Systemtic Name: methyl 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(1-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(1-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(1-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=C(C=C1)CSC2=NN(C=N2)C3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN(C=N2)C3=CC=CC=C3

InChI

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