4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile

Systemtic Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxidanylidene-butanenitrile Openeye Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxo-butanenitrile CAS Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile IUPAC Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]sulfanyl]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-oxobutanenitrile Traditional Name: 4-[[5-(4-chlorophenyl)-4-(2-methoxyethyl)-1,2,4-triazol-3-yl]thio]-2-(1,3-dihydrobenzimidazol-2-ylidene)-3-keto-butyronitrile Formula: C22H19ClN6O2S MolecularWeight: 466.94326

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COCCN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=C(C=C4)Cl

Isomeric SMILES

COCCN1C(=NN=C1SCC(=O)C(=C2NC3=CC=CC=C3N2)C#N)C4=CC=C(C=C4)Cl

InChI

InChI=1S/C22H19ClN6O2S/c1-31-11-10-29-21(14-6-8-15(23)9-7-14)27-28-22(29)32-13-19(30)16(12-24)20-25-17-4-2-3-5-18(17)26-20/h2-9,25-26H,10-11,13H2,1H3