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

Systemtic Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 4-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C17H14N3O2S- MolecularWeight: 324.37696

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)[O-])C3=CC=CC=C3

InChI

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