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

Systemtic Name: methyl 4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(5-isopropyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-propan-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(5-isopropyl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

CC(C)C1=NC(=NN1)SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C14H17N3O2S/c1-9(2)12-15-14(17-16-12)20-8-10-4-6-11(7-5-10)13(18)19-3/h4-7,9H,8H2,1-3H3,(H,15,16,17)