(4S,4aS)-2-methylsulfanyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4S,4aS)-2-methylsulfanyl-5-oxidanylidene-4-(4-phenylmethoxyphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S,4aS)-4-(4-benzyloxyphenyl)-2-methylsulfanyl-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S,4aS)-2-(methylthio)-5-oxo-4-(4-phenylmethoxyphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S,4aS)-2-methylsulfanyl-5-oxo-4-(4-phenylmethoxyphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S,4aS)-4-(4-benzoxyphenyl)-5-keto-2-(methylthio)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Formula: C24H22N2O2S MolecularWeight: 402.50868

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NC2=CCCC(=O)C2C(C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

Isomeric SMILES

CSC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C#N)C3=CC=C(C=C3)OCC4=CC=CC=C4

InChI

InChI=1S/C24H22N2O2S/c1-29-24-19(14-25)22(23-20(26-24)8-5-9-21(23)27)17-10-12-18(13-11-17)28-15-16-6-3-2-4-7-16/h2-4,6-8,10-13,19,22-23H,5,9,15H2,1H3/t19?,22-,23+/m1/s1