2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(2-oxidanyl-3-phenoxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(2-hydroxy-3-phenoxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(2-hydroxy-3-phenoxypropyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(2-hydroxy-3-phenoxypropyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(2-hydroxy-3-phenoxy-propyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H20N2O2S MolecularWeight: 340.4393

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(COC3=CC=CC=C3)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(COC3=CC=CC=C3)O)C#N

InChI

InChI=1S/C19H20N2O2S/c20-11-15-10-14-6-4-5-9-18(14)21-19(15)24-13-16(22)12-23-17-7-2-1-3-8-17/h1-3,7-8,10,16,22H,4-6,9,12-13H2