4-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[[4-cyclohexyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[[4-cyclohexyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[4-cyclohexyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C24H24N6OS2 MolecularWeight: 476.61696

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC(=O)C(=C3NC4=CC=CC=C4N3)C#N)CC5=CC=CS5

InChI

InChI=1S/C24H24N6OS2/c25-14-18(23-26-19-10-4-5-11-20(19)27-23)21(31)15-33-24-29-28-22(13-17-9-6-12-32-17)30(24)16-7-2-1-3-8-16/h4-6,9-12,16,26-27H,1-3,7-8,13,15H2