3-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Systemtic Name: 3-[(3-oxidanylidene-4H-quinoxalin-2-yl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Openeye Name: 3-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile CAS Name: 3-[(3-oxo-4H-quinoxalin-2-yl)methylthio]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile IUPAC Name: 3-[(3-oxo-4H-quinoxalin-2-yl)methylsulfanyl]-1-thiophen-2-yl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Traditional Name: 3-[(3-keto-4H-quinoxalin-2-yl)methylthio]-1-(2-thienyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile Formula: C23H18N4OS2 MolecularWeight: 430.54522

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=NC4=CC=CC=C4NC3=O)C5=CC=CS5

Isomeric SMILES

C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=NC4=CC=CC=C4NC3=O)C5=CC=CS5

InChI

InChI=1S/C23H18N4OS2/c24-12-16-14-6-1-2-7-15(14)21(20-10-5-11-29-20)27-23(16)30-13-19-22(28)26-18-9-4-3-8-17(18)25-19/h3-5,8-11H,1-2,6-7,13H2,(H,26,28)