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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC3=CC=CC=N3

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC3=CC=CC=N3

InChI

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