3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile

Systemtic Name: 3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-cyclohexyl-5-(1-naphthalenylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-cyclohexyl-5-(naphthalen-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-cyclohexyl-5-(1-naphthylmethyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C22H24N4S MolecularWeight: 376.51776

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC#N)CC3=CC=CC4=CC=CC=C43

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC#N)CC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H24N4S/c23-14-7-15-27-22-25-24-21(26(22)19-11-2-1-3-12-19)16-18-10-6-9-17-8-4-5-13-20(17)18/h4-6,8-10,13,19H,1-3,7,11-12,15-16H2