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

Systemtic Name: 2-(phenylmethylsulfanyl)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-benzylsulfanyl-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(phenylmethylthio)-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-benzylsulfanyl-4-thiophen-2-yl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(benzylthio)-4-(2-thienyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C21H18N2S2 MolecularWeight: 362.51102

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H18N2S2/c22-13-17-20(19-11-6-12-24-19)16-9-4-5-10-18(16)23-21(17)25-14-15-7-2-1-3-8-15/h1-3,6-8,11-12H,4-5,9-10,14H2