(4S,4aS)-2-ethylsulfanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile

Systemtic Name: (4S,4aS)-2-ethylsulfanyl-5-oxidanylidene-4-(4-propan-2-ylphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Openeye Name: (4S,4aS)-2-ethylsulfanyl-4-(4-isopropylphenyl)-5-oxo-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile CAS Name: (4S,4aS)-2-(ethylthio)-5-oxo-4-(4-propan-2-ylphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile IUPAC Name: (4S,4aS)-2-ethylsulfanyl-5-oxo-4-(4-propan-2-ylphenyl)-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Traditional Name: (4S,4aS)-2-(ethylthio)-5-keto-4-p-cumenyl-4,4a,6,7-tetrahydro-3H-quinoline-3-carbonitrile Formula: C21H24N2OS MolecularWeight: 352.49306

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NC2=CCCC(=O)C2C(C1C#N)C3=CC=C(C=C3)C(C)C

Isomeric SMILES

CCSC1=NC2=CCCC(=O)[C@H]2[C@@H](C1C#N)C3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C21H24N2OS/c1-4-25-21-16(12-22)19(15-10-8-14(9-11-15)13(2)3)20-17(23-21)6-5-7-18(20)24/h6,8-11,13,16,19-20H,4-5,7H2,1-3H3/t16?,19-,20+/m1/s1