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

Systemtic Name: 3-[5-(cyanomethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]benzenecarbonitrile Openeye Name: 3-[5-(cyanomethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]benzonitrile CAS Name: 3-[5-(cyanomethylthio)-4-methyl-1,2,4-triazol-3-yl]benzonitrile IUPAC Name: 3-[5-(cyanomethylsulfanyl)-4-methyl-1,2,4-triazol-3-yl]benzonitrile Traditional Name: 3-[5-(cyanomethylthio)-4-methyl-1,2,4-triazol-3-yl]benzonitrile Formula: C12H9N5S MolecularWeight: 255.29836

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC#N)C2=CC=CC(=C2)C#N

Isomeric SMILES

CN1C(=NN=C1SCC#N)C2=CC=CC(=C2)C#N

InChI

InChI=1S/C12H9N5S/c1-17-11(15-16-12(17)18-6-5-13)10-4-2-3-9(7-10)8-14/h2-4,7H,6H2,1H3