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

Systemtic Name: 2,5-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Openeye Name: N-[(3-benzyloxyphenyl)carbamothioyl]-2,5-dimethyl-pyrazole-3-carboxamide CAS Name: 2,5-dimethyl-N-[(3-phenylmethoxyanilino)-sulfanylidenemethyl]-3-pyrazolecarboxamide IUPAC Name: 2,5-dimethyl-N-[(3-phenylmethoxyphenyl)carbamothioyl]pyrazole-3-carboxamide Traditional Name: N-[(3-benzoxyphenyl)thiocarbamoyl]-2,5-dimethyl-pyrazole-3-carboxamide Formula: C20H20N4O2S MolecularWeight: 380.4634

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)C

Isomeric SMILES

CC1=NN(C(=C1)C(=O)NC(=S)NC2=CC(=CC=C2)OCC3=CC=CC=C3)C

InChI

InChI=1S/C20H20N4O2S/c1-14-11-18(24(2)23-14)19(25)22-20(27)21-16-9-6-10-17(12-16)26-13-15-7-4-3-5-8-15/h3-12H,13H2,1-2H3,(H2,21,22,25,27)