3-[5-azanyl-3-methylsulfanyl-4-(phenylcarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide

Systemtic Name: 3-[5-azanyl-3-methylsulfanyl-4-(phenylcarbonyl)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Openeye Name: 3-(5-amino-4-benzoyl-3-methylsulfanyl-pyrazol-1-yl)-N-cyclopropyl-4-methyl-benzamide CAS Name: 3-[5-amino-4-benzoyl-3-(methylthio)-1-pyrazolyl]-N-cyclopropyl-4-methylbenzamide IUPAC Name: 3-(5-amino-4-benzoyl-3-methylsulfanylpyrazol-1-yl)-N-cyclopropyl-4-methylbenzamide Traditional Name: 3-[5-amino-4-benzoyl-3-(methylthio)pyrazol-1-yl]-N-cyclopropyl-4-methyl-benzamide Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C(=N3)SC)C(=O)C4=CC=CC=C4)N

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2CC2)N3C(=C(C(=N3)SC)C(=O)C4=CC=CC=C4)N

InChI

InChI=1S/C22H22N4O2S/c1-13-8-9-15(21(28)24-16-10-11-16)12-17(13)26-20(23)18(22(25-26)29-2)19(27)14-6-4-3-5-7-14/h3-9,12,16H,10-11,23H2,1-2H3,(H,24,28)