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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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