5-oxidanylidene-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-7,8-dihydro-6H-quinoline-3-carbonitrile

Systemtic Name: 5-oxidanylidene-2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-7,8-dihydro-6H-quinoline-3-carbonitrile Openeye Name: 5-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-7,8-dihydro-6H-quinoline-3-carbonitrile CAS Name: 5-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-7,8-dihydro-6H-quinoline-3-carbonitrile IUPAC Name: 5-oxo-2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-7,8-dihydro-6H-quinoline-3-carbonitrile Traditional Name: 5-keto-2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-7,8-dihydro-6H-quinoline-3-carbonitrile Formula: C20H18N4O2S MolecularWeight: 378.44752

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=N2)SCCCN3C4=CC=CC=C4NC3=O)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=N2)SCCCN3C4=CC=CC=C4NC3=O)C#N)C(=O)C1

InChI

InChI=1S/C20H18N4O2S/c21-12-13-11-14-15(6-3-8-18(14)25)22-19(13)27-10-4-9-24-17-7-2-1-5-16(17)23-20(24)26/h1-2,5,7,11H,3-4,6,8-10H2,(H,23,26)