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

Systemtic Name: methyl 2-[[5-(4-ethyl-5-methyl-thiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(4-ethyl-5-methyl-3-thiophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(4-ethyl-5-methylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(4-ethyl-5-methyl-3-thienyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C15H21N3O2S2 MolecularWeight: 339.47614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N3O2S2/c1-6-11-10(4)21-7-12(11)14-16-17-15(18(14)9(2)3)22-8-13(19)20-5/h7,9H,6,8H2,1-5H3