methyl 2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: methyl 2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-ethyl-5-methyl-3-thienyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-ethyl-5-methyl-3-thiophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-ethyl-5-methylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-ethyl-5-methyl-3-thienyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H17N3O2S2 MolecularWeight: 311.42298

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(SC=C1C2=NN=C(N2C)SCC(=O)OC)C

Isomeric SMILES

CCC1=C(SC=C1C2=NN=C(N2C)SCC(=O)OC)C

InChI

InChI=1S/C13H17N3O2S2/c1-5-9-8(2)19-6-10(9)12-14-15-13(16(12)3)20-7-11(17)18-4/h6H,5,7H2,1-4H3