3-methyl-N-(3-methylsulfanylphenyl)-5-oxidanylidene-2-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide

Systemtic Name: 3-methyl-N-(3-methylsulfanylphenyl)-5-oxidanylidene-2-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Openeye Name: 3-methyl-N-(3-methylsulfanylphenyl)-5-oxo-2-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide CAS Name: 3-methyl-N-[3-(methylthio)phenyl]-5-oxo-2-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide IUPAC Name: 3-methyl-N-(3-methylsulfanylphenyl)-5-oxo-2-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Traditional Name: 5-keto-3-methyl-N-[3-(methylthio)phenyl]-2-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(NN2C1=NC(=O)CC2C(=O)NC3=CC(=CC=C3)SC)C4=CC=CC=C4

Isomeric SMILES

CC1=C(NN2C1=NC(=O)CC2C(=O)NC3=CC(=CC=C3)SC)C4=CC=CC=C4

InChI

InChI=1S/C21H20N4O2S/c1-13-19(14-7-4-3-5-8-14)24-25-17(12-18(26)23-20(13)25)21(27)22-15-9-6-10-16(11-15)28-2/h3-11,17,24H,12H2,1-2H3,(H,22,27)