4-[[4-(4-chlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,2-dimethyl-5-phenyl-pyrazol-3-one bromide

Systemtic Name: 4-[[4-(4-chlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,2-dimethyl-5-phenyl-pyrazol-3-one bromide Openeye Name: 4-[[3-allyl-4-(4-chlorophenyl)thiazol-2-ylidene]amino]-1,2-dimethyl-5-phenyl-pyrazol-3-one bromide CAS Name: 4-[[4-(4-chlorophenyl)-3-prop-2-enyl-2-thiazolylidene]amino]-1,2-dimethyl-5-phenyl-3-pyrazolone bromide IUPAC Name: 4-[[4-(4-chlorophenyl)-3-prop-2-enyl-1,3-thiazol-2-ylidene]amino]-1,2-dimethyl-5-phenylpyrazol-3-one bromide Traditional Name: 4-[[3-allyl-4-(4-chlorophenyl)-4-thiazolin-2-ylidene]amino]-1,2-dimethyl-5-phenyl-3-pyrazolin-3-one bromide Formula: C23H21BrClN4OS- MolecularWeight: 516.86104

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=C(C(=O)N1C)N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC=C)C4=CC=CC=C4.[Br-]

Isomeric SMILES

CN1C(=C(C(=O)N1C)N=C2N(C(=CS2)C3=CC=C(C=C3)Cl)CC=C)C4=CC=CC=C4.[Br-]

InChI

InChI=1S/C23H21ClN4OS.BrH/c1-4-14-28-19(16-10-12-18(24)13-11-16)15-30-23(28)25-20-21(17-8-6-5-7-9-17)26(2)27(3)22(20)29;/h4-13,15H,1,14H2,2-3H3;1H/p-1