2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(1H-benzimidazol-2-ylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(1H-benzimidazol-2-ylmethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(1H-benzimidazol-2-ylmethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C18H16N4S MolecularWeight: 320.41144

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC3=NC4=CC=CC=C4N3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC3=NC4=CC=CC=C4N3)C#N

InChI

InChI=1S/C18H16N4S/c19-10-13-9-12-5-1-2-6-14(12)22-18(13)23-11-17-20-15-7-3-4-8-16(15)21-17/h3-4,7-9H,1-2,5-6,11H2,(H,20,21)