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

Systemtic Name: 4-(4-phenylmethoxyphenyl)-2-propylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-propylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-phenylmethoxyphenyl)-2-(propylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-phenylmethoxyphenyl)-2-propylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-(propylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C26H26N2OS MolecularWeight: 414.56244

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C26H26N2OS/c1-2-16-30-26-23(17-27)25(22-10-6-7-11-24(22)28-26)20-12-14-21(15-13-20)29-18-19-8-4-3-5-9-19/h3-5,8-9,12-15H,2,6-7,10-11,16,18H2,1H3