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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC#N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC(=C2)C#N)SCC#N

InChI

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