2-phenyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 2-phenyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 2-phenyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 2-phenyl-N-[[(2-phenyl-1,3-benzodioxol-5-yl)amino]-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 2-phenyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 2-phenyl-N-[(2-phenyl-1,3-benzodioxol-5-yl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C24H18N4O3S MolecularWeight: 442.48972

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=CC=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2OC3=C(O2)C=C(C=C3)NC(=S)NC(=O)C4=CC=NN4C5=CC=CC=C5

InChI

InChI=1S/C24H18N4O3S/c29-22(19-13-14-25-28(19)18-9-5-2-6-10-18)27-24(32)26-17-11-12-20-21(15-17)31-23(30-20)16-7-3-1-4-8-16/h1-15,23H,(H2,26,27,29,32)