2-[2-(phenylmethyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-[2-(phenylmethyl)sulfonylethylsulfanyl]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(2-benzylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[2-(phenylmethyl)sulfonylethylthio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2-benzylsulfonylethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-(2-benzylsulfonylethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H20N2O2S2 MolecularWeight: 372.5043

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCCS(=O)(=O)CC3=CC=CC=C3)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCCS(=O)(=O)CC3=CC=CC=C3)C#N

InChI

InChI=1S/C19H20N2O2S2/c20-13-17-12-16-8-4-5-9-18(16)21-19(17)24-10-11-25(22,23)14-15-6-2-1-3-7-15/h1-3,6-7,12H,4-5,8-11,14H2