2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile

Systemtic Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanenitrile Openeye Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile CAS Name: 2-[[4-cyclohexyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]acetonitrile IUPAC Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)sulfanyl]acetonitrile Traditional Name: 2-[(5-benzyl-4-cyclohexyl-1,2,4-triazol-3-yl)thio]acetonitrile Formula: C17H20N4S MolecularWeight: 312.4325

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC#N)CC3=CC=CC=C3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC#N)CC3=CC=CC=C3

InChI

InChI=1S/C17H20N4S/c18-11-12-22-17-20-19-16(13-14-7-3-1-4-8-14)21(17)15-9-5-2-6-10-15/h1,3-4,7-8,15H,2,5-6,9-10,12-13H2