3-(4-bromophenyl)-N-[(carbamothioylamino)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-bromophenyl)-N-[(carbamothioylamino)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide Openeye Name: 3-(4-bromophenyl)-N-[(carbamothioylamino)carbamothioyl]-1-phenyl-pyrazole-4-carboxamide CAS Name: 3-(4-bromophenyl)-N-[(carbamothioylhydrazo)-sulfanylidenemethyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-bromophenyl)-N-[(carbamothioylamino)carbamothioyl]-1-phenylpyrazole-4-carboxamide Traditional Name: 3-(4-bromophenyl)-1-phenyl-N-(thioureidothiocarbamoyl)pyrazole-4-carboxamide Formula: C18H15BrN6OS2 MolecularWeight: 475.3853

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15BrN6OS2/c19-12-8-6-11(7-9-12)15-14(16(26)21-18(28)23-22-17(20)27)10-25(24-15)13-4-2-1-3-5-13/h1-10H,(H3,20,22,27)(H2,21,23,26,28)