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

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

CCCN1C(=NN=C1SCC(=O)OC)C2=CSC(=C2)C

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)OC)C2=CSC(=C2)C

InChI

InChI=1S/C13H17N3O2S2/c1-4-5-16-12(10-6-9(2)19-7-10)14-15-13(16)20-8-11(17)18-3/h6-7H,4-5,8H2,1-3H3