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

Systemtic Name: methyl 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 4-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(4-cyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[(4-cyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C14H15N3O2S MolecularWeight: 289.3528

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C3CC3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NN=CN2C3CC3

InChI

InChI=1S/C14H15N3O2S/c1-19-13(18)11-4-2-10(3-5-11)8-20-14-16-15-9-17(14)12-6-7-12/h2-5,9,12H,6-8H2,1H3