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

Systemtic Name: 4-[3-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-4-yl]benzenecarbonitrile Openeye Name: 4-[3-methyl-5-(2-pyridylmethylsulfanyl)-1,2,4-triazol-4-yl]benzonitrile CAS Name: 4-[3-methyl-5-(2-pyridinylmethylthio)-1,2,4-triazol-4-yl]benzonitrile IUPAC Name: 4-[3-methyl-5-(pyridin-2-ylmethylsulfanyl)-1,2,4-triazol-4-yl]benzonitrile Traditional Name: 4-[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=C(C=C2)C#N)SCC3=CC=CC=N3

Isomeric SMILES

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

InChI

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