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

Systemtic Name: 2-(2-oxidanyl-3-phenylazanyl-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 2-(3-anilino-2-hydroxy-propyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-[(3-anilino-2-hydroxypropyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(3-anilino-2-hydroxypropyl)sulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 2-[(3-anilino-2-hydroxy-propyl)thio]-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C19H21N3OS MolecularWeight: 339.45454

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C=C(C(=N2)SCC(CNC3=CC=CC=C3)O)C#N

Isomeric SMILES

C1CCC2=C(C1)C=C(C(=N2)SCC(CNC3=CC=CC=C3)O)C#N

InChI

InChI=1S/C19H21N3OS/c20-11-15-10-14-6-4-5-9-18(14)22-19(15)24-13-17(23)12-21-16-7-2-1-3-8-16/h1-3,7-8,10,17,21,23H,4-6,9,12-13H2