3-[3-(2-cyanoethylsulfanyl)-5-pyridin-3-yl-1,2,4-triazol-4-yl]propanenitrile

Systemtic Name: 3-[3-(2-cyanoethylsulfanyl)-5-pyridin-3-yl-1,2,4-triazol-4-yl]propanenitrile Openeye Name: 3-[3-(2-cyanoethylsulfanyl)-5-(3-pyridyl)-1,2,4-triazol-4-yl]propanenitrile CAS Name: 3-[3-(2-cyanoethylthio)-5-(3-pyridinyl)-1,2,4-triazol-4-yl]propanenitrile IUPAC Name: 3-[3-(2-cyanoethylsulfanyl)-5-pyridin-3-yl-1,2,4-triazol-4-yl]propanenitrile Traditional Name: 3-[3-(2-cyanoethylthio)-5-(3-pyridyl)-1,2,4-triazol-4-yl]propionitrile Formula: C13H12N6S MolecularWeight: 284.33958

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CN=C1)C2=NN=C(N2CCC#N)SCCC#N

Isomeric SMILES

C1=CC(=CN=C1)C2=NN=C(N2CCC#N)SCCC#N

InChI

InChI=1S/C13H12N6S/c14-5-2-8-19-12(11-4-1-7-16-10-11)17-18-13(19)20-9-3-6-15/h1,4,7,10H,2-3,8-9H2