5-[(4-chlorophenyl)sulfanylmethyl]-N-(3-methylbutyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide

Systemtic Name: 5-[(4-chlorophenyl)sulfanylmethyl]-N-(3-methylbutyl)-7-oxidanylidene-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide Openeye Name: 5-[(4-chlorophenyl)sulfanylmethyl]-N-isopentyl-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide CAS Name: 5-[[(4-chlorophenyl)thio]methyl]-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide IUPAC Name: 5-[(4-chlorophenyl)sulfanylmethyl]-N-(3-methylbutyl)-7-oxo-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide Traditional Name: 5-[[(4-chlorophenyl)thio]methyl]-N-isoamyl-7-keto-1H-pyrazolo[1,5-a]pyrimidine-3-carboxamide Formula: C19H21ClN4O2S MolecularWeight: 404.91364

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCNC(=O)C1=CNN2C1=NC(=CC2=O)CSC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C)CCNC(=O)C1=CNN2C1=NC(=CC2=O)CSC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H21ClN4O2S/c1-12(2)7-8-21-19(26)16-10-22-24-17(25)9-14(23-18(16)24)11-27-15-5-3-13(20)4-6-15/h3-6,9-10,12,22H,7-8,11H2,1-2H3,(H,21,26)