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

Systemtic Name: methyl 2-[[5-(5-ethylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(5-ethyl-3-thienyl)-4-isopropyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-ethyl-3-thiophenyl)-4-propan-2-yl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(5-ethylthiophen-3-yl)-4-propan-2-yl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-ethyl-3-thienyl)-4-isopropyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C14H19N3O2S2 MolecularWeight: 325.44956

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CS1)C2=NN=C(N2C(C)C)SCC(=O)OC

Isomeric SMILES

CCC1=CC(=CS1)C2=NN=C(N2C(C)C)SCC(=O)OC

InChI

InChI=1S/C14H19N3O2S2/c1-5-11-6-10(7-20-11)13-15-16-14(17(13)9(2)3)21-8-12(18)19-4/h6-7,9H,5,8H2,1-4H3