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

Systemtic Name: methyl 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester Formula: C15H17N3O2S MolecularWeight: 303.37938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2CC2)SCC3=CC=CC(=C3)C(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2CC2)SCC3=CC=CC(=C3)C(=O)OC

InChI

InChI=1S/C15H17N3O2S/c1-10-16-17-15(18(10)13-6-7-13)21-9-11-4-3-5-12(8-11)14(19)20-2/h3-5,8,13H,6-7,9H2,1-2H3