2-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(4-pyridylmethylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(pyridin-4-ylmethylthio)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(4-pyridylmethylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C20H17N3S2 MolecularWeight: 363.49908

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=NC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC3=CC=NC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C20H17N3S2/c21-12-16-19(18-6-3-11-24-18)15-4-1-2-5-17(15)23-20(16)25-13-14-7-9-22-10-8-14/h3,6-11H,1-2,4-5,13H2