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

Systemtic Name: 2-[3-(2-oxidanylidene-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-[3-(2-oxo-3H-benzimidazol-1-yl)propylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[3-(2-keto-3H-benzimidazol-1-yl)propylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H20N4OS MolecularWeight: 364.464

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCCCN3C4=CC=CC=C4NC3=O)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCCCN3C4=CC=CC=C4NC3=O)C#N

InChI

InChI=1S/C20H20N4OS/c21-13-15-12-14-6-1-2-7-16(14)22-19(15)26-11-5-10-24-18-9-4-3-8-17(18)23-20(24)25/h3-4,8-9,12H,1-2,5-7,10-11H2,(H,23,25)