1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[3,4-b]pyridine-5-carboxamide

Systemtic Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[3,4-b]pyridine-5-carboxamide Openeye Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[3,4-b]pyridine-5-carboxamide CAS Name: 1,3-dimethyl-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-5-pyrazolo[3,4-b]pyridinecarboxamide IUPAC Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[3,4-b]pyridine-5-carboxamide Traditional Name: 1,3-dimethyl-N-[(3-phenoxyphenyl)thiocarbamoyl]pyrazolo[3,4-b]pyridine-5-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN(C2=NC=C(C=C12)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C22H19N5O2S/c1-14-19-11-15(13-23-20(19)27(2)26-14)21(28)25-22(30)24-16-7-6-10-18(12-16)29-17-8-4-3-5-9-17/h3-13H,1-2H3,(H2,24,25,28,30)