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

Systemtic Name: methyl 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 3-[[4-cyclopropyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 3-[[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[4-cyclopropyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 3-[[[4-cyclopropyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C19H19N3O2S2 MolecularWeight: 385.50306

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3CC3)CC4=CC=CS4

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CSC2=NN=C(N2C3CC3)CC4=CC=CS4

InChI

InChI=1S/C19H19N3O2S2/c1-24-18(23)14-5-2-4-13(10-14)12-26-19-21-20-17(22(19)15-7-8-15)11-16-6-3-9-25-16/h2-6,9-10,15H,7-8,11-12H2,1H3