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

Systemtic Name: ethyl 2-[5-(5-cyanopyridin-2-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]ethanoate Openeye Name: ethyl 2-[5-[(5-cyano-2-pyridyl)sulfanyl]-4-methyl-1,2,4-triazol-3-yl]acetate CAS Name: 2-[5-[(5-cyano-2-pyridinyl)thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester IUPAC Name: ethyl 2-[5-(5-cyanopyridin-2-yl)sulfanyl-4-methyl-1,2,4-triazol-3-yl]acetate Traditional Name: 2-[5-[(5-cyano-2-pyridyl)thio]-4-methyl-1,2,4-triazol-3-yl]acetic acid ethyl ester Formula: C13H13N5O2S MolecularWeight: 303.33962

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CC1=NN=C(N1C)SC2=NC=C(C=C2)C#N

Isomeric SMILES

CCOC(=O)CC1=NN=C(N1C)SC2=NC=C(C=C2)C#N

InChI

InChI=1S/C13H13N5O2S/c1-3-20-12(19)6-10-16-17-13(18(10)2)21-11-5-4-9(7-14)8-15-11/h4-5,8H,3,6H2,1-2H3