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

Systemtic Name: methyl 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-cyclopropyl-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4-cyclopropyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[[4-cyclopropyl-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H14N4O2S MolecularWeight: 290.34086

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1C2CC2)C3=CN=CC=C3

InChI

InChI=1S/C13H14N4O2S/c1-19-11(18)8-20-13-16-15-12(17(13)10-4-5-10)9-3-2-6-14-7-9/h2-3,6-7,10H,4-5,8H2,1H3