2,5-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide

Systemtic Name: 2,5-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: 2,5-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: 2,5-dimethyl-N-[(3-phenoxyphenyl)thiocarbamoyl]pyrazole-3-carboxamide Formula: C19H18N4O2S MolecularWeight: 366.43682

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OC3=CC=CC=C3)C

InChI

InChI=1S/C19H18N4O2S/c1-13-11-17(23(2)22-13)18(24)21-19(26)20-14-7-6-10-16(12-14)25-15-8-4-3-5-9-15/h3-12H,1-2H3,(H2,20,21,24,26)