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

Systemtic Name: methyl 2-[[5-(5-ethylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[5-(5-ethyl-3-thienyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(5-ethyl-3-thiophenyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[5-(5-ethylthiophen-3-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(5-ethyl-3-thienyl)-4-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C12H15N3O2S2 MolecularWeight: 297.3964

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O2S2/c1-4-9-5-8(6-18-9)11-13-14-12(15(11)2)19-7-10(16)17-3/h5-6H,4,7H2,1-3H3