2,7-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide

Systemtic Name: 2,7-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Openeye Name: 2,7-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide CAS Name: 2,7-dimethyl-N-[(3-phenoxyanilino)-sulfanylidenemethyl]-6-pyrazolo[1,5-a]pyrimidinecarboxamide IUPAC Name: 2,7-dimethyl-N-[(3-phenoxyphenyl)carbamothioyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Traditional Name: 2,7-dimethyl-N-[(3-phenoxyphenyl)thiocarbamoyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide Formula: C22H19N5O2S MolecularWeight: 417.48356

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C(C=NC2=C1)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4)C

Isomeric SMILES

CC1=NN2C(=C(C=NC2=C1)C(=O)NC(=S)NC3=CC(=CC=C3)OC4=CC=CC=C4)C

InChI

InChI=1S/C22H19N5O2S/c1-14-11-20-23-13-19(15(2)27(20)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)