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

Systemtic Name: 2-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 4-(4-benzyloxyphenyl)-2-ethylsulfanyl-5,6,7,8-tetrahydroquinoline-3-carbonitrile CAS Name: 2-(ethylthio)-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 2-ethylsulfanyl-4-(4-phenylmethoxyphenyl)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 4-(4-benzoxyphenyl)-2-(ethylthio)-5,6,7,8-tetrahydroquinoline-3-carbonitrile Formula: C25H24N2OS MolecularWeight: 400.53586

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CCSC1=NC2=C(CCCC2)C(=C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C25H24N2OS/c1-2-29-25-22(16-26)24(21-10-6-7-11-23(21)27-25)19-12-14-20(15-13-19)28-17-18-8-4-3-5-9-18/h3-5,8-9,12-15H,2,6-7,10-11,17H2,1H3