N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide

Systemtic Name: N-[2-[(4-bromanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]-1-phenyl-3-thiophen-2-yl-pyrazole-4-carboxamide Openeye Name: N-[2-(4-bromo-2-methyl-anilino)-2-oxo-ethyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide CAS Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-yl-4-pyrazolecarboxamide IUPAC Name: N-[2-(4-bromo-2-methylanilino)-2-oxoethyl]-1-phenyl-3-thiophen-2-ylpyrazole-4-carboxamide Traditional Name: N-[2-(4-bromo-2-methyl-anilino)-2-keto-ethyl]-1-phenyl-3-(2-thienyl)pyrazole-4-carboxamide Formula: C23H19BrN4O2S MolecularWeight: 495.39156

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

Isomeric SMILES

CC1=C(C=CC(=C1)Br)NC(=O)CNC(=O)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4

InChI

InChI=1S/C23H19BrN4O2S/c1-15-12-16(24)9-10-19(15)26-21(29)13-25-23(30)18-14-28(17-6-3-2-4-7-17)27-22(18)20-8-5-11-31-20/h2-12,14H,13H2,1H3,(H,25,30)(H,26,29)