4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile; morpholine

Systemtic Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile; morpholine Openeye Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile; morpholine CAS Name: 4-(4-bromophenyl)-2-mercapto-7,7-dimethyl-5-oxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile; morpholine IUPAC Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-sulfanyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile; morpholine Traditional Name: 4-(4-bromophenyl)-5-keto-2-mercapto-7,7-dimethyl-1,4,6,8-tetrahydroquinoline-3-carbonitrile; morpholine Formula: C22H26BrN3O2S MolecularWeight: 476.42974

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C.C1COCCN1

Isomeric SMILES

CC1(CC2=C(C(C(=C(N2)S)C#N)C3=CC=C(C=C3)Br)C(=O)C1)C.C1COCCN1

InChI

InChI=1S/C18H17BrN2OS.C4H9NO/c1-18(2)7-13-16(14(22)8-18)15(12(9-20)17(23)21-13)10-3-5-11(19)6-4-10;1-3-6-4-2-5-1/h3-6,15,21,23H,7-8H2,1-2H3;5H,1-4H2