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

Systemtic Name: 6-tert-butyl-2-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 6-tert-butyl-2-(4-pyridylmethylsulfanyl)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 6-tert-butyl-2-(pyridin-4-ylmethylthio)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 6-tert-butyl-2-(pyridin-4-ylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 6-tert-butyl-2-(4-pyridylmethylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C24H25N3S2 MolecularWeight: 419.6054

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3S2/c1-24(2,3)17-6-7-20-18(13-17)22(21-5-4-12-28-21)19(14-25)23(27-20)29-15-16-8-10-26-11-9-16/h4-5,8-12,17H,6-7,13,15H2,1-3H3