5-[3-(3-bromophenyl)prop-2-enoylcarbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide

Systemtic Name: 5-[3-(3-bromophenyl)prop-2-enoylcarbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide Openeye Name: 5-[3-(3-bromophenyl)prop-2-enoylcarbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide CAS Name: 5-[[[[3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-(3,4-dichlorophenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[3-(3-bromophenyl)prop-2-enoylcarbamothioylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide Traditional Name: 5-[[3-(3-bromophenyl)acryloyl]thiocarbamoylamino]-1-(3,4-dichlorophenyl)pyrazole-4-carboxamide Formula: C20H14BrCl2N5O2S MolecularWeight: 539.23246

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)C=CC(=O)NC(=S)NC2=C(C=NN2C3=CC(=C(C=C3)Cl)Cl)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)Br)C=CC(=O)NC(=S)NC2=C(C=NN2C3=CC(=C(C=C3)Cl)Cl)C(=O)N

InChI

InChI=1S/C20H14BrCl2N5O2S/c21-12-3-1-2-11(8-12)4-7-17(29)26-20(31)27-19-14(18(24)30)10-25-28(19)13-5-6-15(22)16(23)9-13/h1-10H,(H2,24,30)(H2,26,27,29,31)