(4S,4aR)-2-ethylsulfanyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile

Systemtic Name: (4S,4aR)-2-ethylsulfanyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Openeye Name: (4S,4aR)-4-(4-benzyloxyphenyl)-2-ethylsulfanyl-5-oxo-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile CAS Name: (4S,4aR)-2-(ethylthio)-5-oxo-4-(4-phenylmethoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile IUPAC Name: (4S,4aR)-2-ethylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Traditional Name: (4S,4aR)-4-(4-benzoxyphenyl)-2-(ethylthio)-5-keto-4a,6,7,8-tetrahydro-4H-quinoline-3-carbonitrile Formula: C25H24N2O2S MolecularWeight: 416.53526

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=C(C(C2C(=N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

Isomeric SMILES

CCSC1=C([C@@H]([C@@H]2C(=N1)CCCC2=O)C3=CC=C(C=C3)OCC4=CC=CC=C4)C#N

InChI

InChI=1S/C25H24N2O2S/c1-2-30-25-20(15-26)23(24-21(27-25)9-6-10-22(24)28)18-11-13-19(14-12-18)29-16-17-7-4-3-5-8-17/h3-5,7-8,11-14,23-24H,2,6,9-10,16H2,1H3/t23-,24+/m0/s1