N-(2,4-dimethylphenyl)-3-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-2-imine hydrobromide

Systemtic Name: N-(2,4-dimethylphenyl)-3-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-2-imine hydrobromide Openeye Name: N-(2,4-dimethylphenyl)-3-morpholino-4-(4-nitrophenyl)thiazol-2-imine hydrobromide CAS Name: N-(2,4-dimethylphenyl)-3-(4-morpholinyl)-4-(4-nitrophenyl)-2-thiazolimine hydrobromide IUPAC Name: N-(2,4-dimethylphenyl)-3-morpholin-4-yl-4-(4-nitrophenyl)-1,3-thiazol-2-imine hydrobromide Traditional Name: (2,4-dimethylphenyl)-[3-morpholino-4-(4-nitrophenyl)-4-thiazolin-2-ylidene]amine hydrobromide Formula: C21H23BrN4O3S MolecularWeight: 491.40132

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)C.Br

Isomeric SMILES

CC1=CC(=C(C=C1)N=C2N(C(=CS2)C3=CC=C(C=C3)[N+](=O)[O-])N4CCOCC4)C.Br

InChI

InChI=1S/C21H22N4O3S.BrH/c1-15-3-8-19(16(2)13-15)22-21-24(23-9-11-28-12-10-23)20(14-29-21)17-4-6-18(7-5-17)25(26)27;/h3-8,13-14H,9-12H2,1-2H3;1H