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

Systemtic Name: methyl 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[(5-thiophen-2-yl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 4-[[[5-(2-thienyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C15H13N3O2S2 MolecularWeight: 331.41262

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CS3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=N2)C3=CC=CS3

InChI

InChI=1S/C15H13N3O2S2/c1-20-14(19)11-6-4-10(5-7-11)9-22-15-16-13(17-18-15)12-3-2-8-21-12/h2-8H,9H2,1H3,(H,16,17,18)