N-(4-bromanyl-2,6-dimethyl-phenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2,4-bis(oxidanylidene)butanamide

Systemtic Name: N-(4-bromanyl-2,6-dimethyl-phenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2,4-bis(oxidanylidene)butanamide Openeye Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-2,4-dioxo-butanamide CAS Name: N-(4-bromo-2,6-dimethylphenyl)-4-[2-(3,5-diphenyl-1-pyrazolyl)-4-methyl-5-thiazolyl]-2,4-dioxobutanamide IUPAC Name: N-(4-bromo-2,6-dimethylphenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-1,3-thiazol-5-yl]-2,4-dioxobutanamide Traditional Name: N-(4-bromo-2,6-dimethyl-phenyl)-4-[2-(3,5-diphenylpyrazol-1-yl)-4-methyl-thiazol-5-yl]-2,4-diketo-butyramide Formula: C31H25BrN4O3S MolecularWeight: 613.5242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C)Br

Isomeric SMILES

CC1=CC(=CC(=C1NC(=O)C(=O)CC(=O)C2=C(N=C(S2)N3C(=CC(=N3)C4=CC=CC=C4)C5=CC=CC=C5)C)C)Br

InChI

InChI=1S/C31H25BrN4O3S/c1-18-14-23(32)15-19(2)28(18)34-30(39)27(38)17-26(37)29-20(3)33-31(40-29)36-25(22-12-8-5-9-13-22)16-24(35-36)21-10-6-4-7-11-21/h4-16H,17H2,1-3H3,(H,34,39)