4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium

Systemtic Name: 4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium Openeye Name: 4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium CAS Name: 4-(4-chlorophenyl)-3-cyano-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium IUPAC Name: 4-(4-chlorophenyl)-3-cyano-7,7-dimethyl-2-sulfanyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium Traditional Name: 4-(4-chlorophenyl)-3-cyano-2-mercapto-7,7-dimethyl-6,8-dihydro-4H-quinolin-5-olate; morpholin-4-ium Formula: C22H26ClN3O2S MolecularWeight: 431.97874

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Descriptors Computed from Structure

Canonical SMILES:

CC1(CC(=C2C(C(=C(N=C2C1)S)C#N)C3=CC=C(C=C3)Cl)[O-])C.C1COCC[NH2+]1

Isomeric SMILES

CC1(CC(=C2C(C(=C(N=C2C1)S)C#N)C3=CC=C(C=C3)Cl)[O-])C.C1COCC[NH2+]1

InChI

InChI=1S/C18H17ClN2OS.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/h3-6,15,22-23H,7-8H2,1-2H3;5H,1-4H2