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

Systemtic Name: 5-[3-(3-bromophenyl)prop-2-enoylcarbamothioylamino]-1-(3-methylphenyl)pyrazole-4-carboxamide Openeye Name: 5-[3-(3-bromophenyl)prop-2-enoylcarbamothioylamino]-1-(m-tolyl)pyrazole-4-carboxamide CAS Name: 5-[[[[3-(3-bromophenyl)-1-oxoprop-2-enyl]amino]-sulfanylidenemethyl]amino]-1-(3-methylphenyl)-4-pyrazolecarboxamide IUPAC Name: 5-[3-(3-bromophenyl)prop-2-enoylcarbamothioylamino]-1-(3-methylphenyl)pyrazole-4-carboxamide Traditional Name: 5-[[3-(3-bromophenyl)acryloyl]thiocarbamoylamino]-1-(m-tolyl)pyrazole-4-carboxamide Formula: C21H18BrN5O2S MolecularWeight: 484.36892

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC(=CC=C3)Br

Isomeric SMILES

CC1=CC(=CC=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C=CC3=CC(=CC=C3)Br

InChI

InChI=1S/C21H18BrN5O2S/c1-13-4-2-7-16(10-13)27-20(17(12-24-27)19(23)29)26-21(30)25-18(28)9-8-14-5-3-6-15(22)11-14/h2-12H,1H3,(H2,23,29)(H2,25,26,28,30)