2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-oxidanylidene-7,8-dihydro-6H-quinoline-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5-oxo-7,8-dihydro-6H-quinoline-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-5-keto-7,8-dihydro-6H-quinoline-3-carbonitrile Formula: C18H14N4OS MolecularWeight: 334.39496

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Descriptors Computed from Structure

Canonical SMILES:

C1CC2=C(C=C(C(=N2)SCC3=NC4=CC=CC=C4N3)C#N)C(=O)C1

Isomeric SMILES

C1CC2=C(C=C(C(=N2)SCC3=NC4=CC=CC=C4N3)C#N)C(=O)C1

InChI

InChI=1S/C18H14N4OS/c19-9-11-8-12-13(6-3-7-16(12)23)22-18(11)24-10-17-20-14-4-1-2-5-15(14)21-17/h1-2,4-5,8H,3,6-7,10H2,(H,20,21)