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

Systemtic Name: methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C13H15N3O2S MolecularWeight: 277.3421

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC2=CC=CC(=C2)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C)SCC2=CC=CC(=C2)C(=O)OC

InChI

InChI=1S/C13H15N3O2S/c1-9-14-15-13(16(9)2)19-8-10-5-4-6-11(7-10)12(17)18-3/h4-7H,8H2,1-3H3