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

Systemtic Name: methyl 4-[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[[4-methyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-benzyl-4-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)CC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-22-17(12-14-6-4-3-5-7-14)20-21-19(22)25-13-15-8-10-16(11-9-15)18(23)24-2/h3-11H,12-13H2,1-2H3