4-[[4-(3-bromophenyl)-2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile

Systemtic Name: 4-[[4-(3-bromophenyl)-2-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)imino-1,3-thiazol-3-yl]iminomethyl]benzenecarbonitrile Openeye Name: 4-[[4-(3-bromophenyl)-2-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)imino-thiazol-3-yl]iminomethyl]benzonitrile CAS Name: 4-[[4-(3-bromophenyl)-2-[(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)imino]-3-thiazolyl]iminomethyl]benzonitrile IUPAC Name: 4-[[4-(3-bromophenyl)-2-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)imino-1,3-thiazol-3-yl]iminomethyl]benzonitrile Traditional Name: 4-[[4-(3-bromophenyl)-2-[(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)imino]-4-thiazolin-3-yl]iminomethyl]benzonitrile Formula: C28H21BrN6OS MolecularWeight: 569.47494

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)Br)N=CC5=CC=C(C=C5)C#N

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)N=C3N(C(=CS3)C4=CC(=CC=C4)Br)N=CC5=CC=C(C=C5)C#N

InChI

InChI=1S/C28H21BrN6OS/c1-19-26(27(36)35(33(19)2)24-9-4-3-5-10-24)32-28-34(31-17-21-13-11-20(16-30)12-14-21)25(18-37-28)22-7-6-8-23(29)15-22/h3-15,17-18H,1-2H3