1-[5-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,2,4-thiadiazol-3-yl]propan-2-one

Systemtic Name: 1-[5-[3-(4-methylphenyl)-1-phenyl-pyrazol-4-yl]carbonyl-1,2,4-thiadiazol-3-yl]propan-2-one Openeye Name: 1-[5-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]-1,2,4-thiadiazol-3-yl]propan-2-one CAS Name: 1-[5-[[3-(4-methylphenyl)-1-phenyl-4-pyrazolyl]-oxomethyl]-1,2,4-thiadiazol-3-yl]-2-propanone IUPAC Name: 1-[5-[3-(4-methylphenyl)-1-phenylpyrazole-4-carbonyl]-1,2,4-thiadiazol-3-yl]propan-2-one Traditional Name: 1-[5-[1-phenyl-3-(p-tolyl)pyrazole-4-carbonyl]-1,2,4-thiadiazol-3-yl]acetone Formula: C22H18N4O2S MolecularWeight: 402.46892

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)C3=NC(=NS3)CC(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=C(C=C1)C2=NN(C=C2C(=O)C3=NC(=NS3)CC(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C22H18N4O2S/c1-14-8-10-16(11-9-14)20-18(13-26(24-20)17-6-4-3-5-7-17)21(28)22-23-19(25-29-22)12-15(2)27/h3-11,13H,12H2,1-2H3