2-(cyanomethylsulfanyl)-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 2-(cyanomethylsulfanyl)-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-(cyanomethylsulfanyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(cyanomethylthio)-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-(cyanomethylsulfanyl)-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-(cyanomethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H21N3OS MolecularWeight: 411.51874

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC2=C(C1)C(=C(C(=N2)SCC#N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

C1CCC2=C(C1)C(=C(C(=N2)SCC#N)C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H21N3OS/c26-14-15-30-25-22(16-27)24(21-8-4-5-9-23(21)28-25)19-10-12-20(13-11-19)29-17-18-6-2-1-3-7-18/h1-3,6-7,10-13H,4-5,8-9,15,17H2