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

Systemtic Name: methyl 2-[[4-(3-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(3-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-cyanophenyl)-5-methyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC(=O)OC

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC(=O)OC

InChI

InChI=1S/C13H12N4O2S/c1-9-15-16-13(20-8-12(18)19-2)17(9)11-5-3-4-10(6-11)7-14/h3-6H,8H2,1-2H3