4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile

Systemtic Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxidanylidene-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Openeye Name: 3-allyl-4-(4-bromophenyl)-7,7-dimethyl-5-oxo-2-thioxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile CAS Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile IUPAC Name: 4-(4-bromophenyl)-7,7-dimethyl-5-oxo-3-prop-2-enyl-2-sulfanylidene-1,4,6,8-tetrahydroquinoline-3-carbonitrile Traditional Name: 3-allyl-4-(4-bromophenyl)-5-keto-7,7-dimethyl-2-thioxo-1,4,6,8-tetrahydroquinoline-3-carbonitrile Formula: C21H21BrN2OS MolecularWeight: 429.37324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrN2OS/c1-4-9-21(12-23)18(13-5-7-14(22)8-6-13)17-15(24-19(21)26)10-20(2,3)11-16(17)25/h4-8,18H,1,9-11H2,2-3H3,(H,24,26)