3-(4-methylphenyl)-N-morpholin-4-ylcarbothioyl-1-phenyl-pyrazole-4-carboxamide

Systemtic Name: 3-(4-methylphenyl)-N-morpholin-4-ylcarbothioyl-1-phenyl-pyrazole-4-carboxamide Openeye Name: N-(morpholine-4-carbothioyl)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide CAS Name: 3-(4-methylphenyl)-N-[4-morpholinyl(sulfanylidene)methyl]-1-phenyl-4-pyrazolecarboxamide IUPAC Name: 3-(4-methylphenyl)-N-(morpholine-4-carbothioyl)-1-phenylpyrazole-4-carboxamide Traditional Name: N-(morpholine-4-carbothioyl)-1-phenyl-3-(p-tolyl)pyrazole-4-carboxamide Formula: C22H22N4O2S MolecularWeight: 406.50068

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCOCC3)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)NC(=S)N3CCOCC3)C4=CC=CC=C4

InChI

InChI=1S/C22H22N4O2S/c1-16-7-9-17(10-8-16)20-19(15-26(24-20)18-5-3-2-4-6-18)21(27)23-22(29)25-11-13-28-14-12-25/h2-10,15H,11-14H2,1H3,(H,23,27,29)