2-phenacylsulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-phenacylsulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-phenacylsulfanyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(phenacylthio)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-phenacylsulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(phenacylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C22H18N2OS2 MolecularWeight: 390.52112

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CS4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC(=O)C3=CC=CC=C3)C#N)C4=CC=CS4

InChI

InChI=1S/C22H18N2OS2/c23-13-17-21(20-11-6-12-26-20)16-9-4-5-10-18(16)24-22(17)27-14-19(25)15-7-2-1-3-8-15/h1-3,6-8,11-12H,4-5,9-10,14H2