1-(3-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3-triazole-4-carboxamide

Systemtic Name: 1-(3-bromophenyl)-N-(1,5-dimethyl-3-oxidanylidene-2-phenyl-pyrazol-4-yl)-1,2,3-triazole-4-carboxamide Openeye Name: 1-(3-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-pyrazol-4-yl)triazole-4-carboxamide CAS Name: 1-(3-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenyl-4-pyrazolyl)-4-triazolecarboxamide IUPAC Name: 1-(3-bromophenyl)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)triazole-4-carboxamide Traditional Name: 1-(3-bromophenyl)-N-(3-keto-1,5-dimethyl-2-phenyl-3-pyrazolin-4-yl)triazole-4-carboxamide Formula: C20H17BrN6O2 MolecularWeight: 453.29198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

Isomeric SMILES

CC1=C(C(=O)N(N1C)C2=CC=CC=C2)NC(=O)C3=CN(N=N3)C4=CC(=CC=C4)Br

InChI

InChI=1S/C20H17BrN6O2/c1-13-18(20(29)27(25(13)2)15-8-4-3-5-9-15)22-19(28)17-12-26(24-23-17)16-10-6-7-14(21)11-16/h3-12H,1-2H3,(H,22,28)