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

Systemtic Name: 2-(3-chlorophenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-oxidanylidene-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Openeye Name: 2-(3-chlorophenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide CAS Name: 2-(3-chlorophenyl)-3-methyl-N-[3-(methylthio)phenyl]-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide IUPAC Name: 2-(3-chlorophenyl)-3-methyl-N-(3-methylsulfanylphenyl)-5-oxo-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Traditional Name: 2-(3-chlorophenyl)-5-keto-3-methyl-N-[3-(methylthio)phenyl]-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carboxamide Formula: C21H19ClN4O2S MolecularWeight: 426.91916

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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)Cl

Isomeric SMILES

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

InChI

InChI=1S/C21H19ClN4O2S/c1-12-19(13-5-3-6-14(22)9-13)25-26-17(11-18(27)24-20(12)26)21(28)23-15-7-4-8-16(10-15)29-2/h3-10,17,25H,11H2,1-2H3,(H,23,28)