5-[(2-bromophenyl)carbonylcarbamothioylamino]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 5-[(2-bromophenyl)carbonylcarbamothioylamino]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 5-[(2-bromobenzoyl)carbamothioylamino]-1-phenyl-pyrazole-4-carboxamide CAS Name: 5-[[[[(2-bromophenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 5-[(2-bromobenzoyl)carbamothioylamino]-1-phenylpyrazole-4-carboxamide Traditional Name: 5-[(2-bromobenzoyl)thiocarbamoylamino]-1-phenyl-pyrazole-4-carboxamide Formula: C18H14BrN5O2S MolecularWeight: 444.30506

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3Br

Isomeric SMILES

C1=CC=C(C=C1)N2C(=C(C=N2)C(=O)N)NC(=S)NC(=O)C3=CC=CC=C3Br

InChI

InChI=1S/C18H14BrN5O2S/c19-14-9-5-4-8-12(14)17(26)23-18(27)22-16-13(15(20)25)10-21-24(16)11-6-2-1-3-7-11/h1-10H,(H2,20,25)(H2,22,23,26,27)