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

Systemtic Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Openeye Name: 3-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile CAS Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]propanenitrile IUPAC Name: 3-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanenitrile Traditional Name: 3-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]propionitrile Formula: C16H20N4S2 MolecularWeight: 332.4868

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCCC#N)CC3=CC=CS3

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCCC#N)CC3=CC=CS3

InChI

InChI=1S/C16H20N4S2/c17-9-5-11-22-16-19-18-15(12-14-8-4-10-21-14)20(16)13-6-2-1-3-7-13/h4,8,10,13H,1-3,5-7,11-12H2