4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 4-[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 4-[[(4,5-dicyclopropyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C16H16N4S MolecularWeight: 296.39004

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C#N

Isomeric SMILES

C1CC1C2=NN=C(N2C3CC3)SCC4=CC=C(C=C4)C#N

InChI

InChI=1S/C16H16N4S/c17-9-11-1-3-12(4-2-11)10-21-16-19-18-15(13-5-6-13)20(16)14-7-8-14/h1-4,13-14H,5-8,10H2