3-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenecarbonitrile

Systemtic Name: 3-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 3-[4-methyl-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-3-yl]benzonitrile CAS Name: 3-[4-methyl-5-(2-pyridinylmethylthio)-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 3-[4-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 3-[4-methyl-5-(2-pyridylmethylthio)-1,2,4-triazol-3-yl]benzonitrile Formula: C16H13N5S MolecularWeight: 307.37292

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC2=CC=CC=N2)C3=CC=CC(=C3)C#N

Isomeric SMILES

CN1C(=NN=C1SCC2=CC=CC=N2)C3=CC=CC(=C3)C#N

InChI

InChI=1S/C16H13N5S/c1-21-15(13-6-4-5-12(9-13)10-17)19-20-16(21)22-11-14-7-2-3-8-18-14/h2-9H,11H2,1H3