3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile

Systemtic Name: 3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzenecarbonitrile Openeye Name: 3-[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile CAS Name: 3-[[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile IUPAC Name: 3-[(5-cyclohexyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzonitrile Traditional Name: 3-[[(4-allyl-5-cyclohexyl-1,2,4-triazol-3-yl)thio]methyl]benzonitrile Formula: C19H22N4S MolecularWeight: 338.46978

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3CCCCC3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=CC(=C2)C#N)C3CCCCC3

InChI

InChI=1S/C19H22N4S/c1-2-11-23-18(17-9-4-3-5-10-17)21-22-19(23)24-14-16-8-6-7-15(12-16)13-20/h2,6-8,12,17H,1,3-5,9-11,14H2