1-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazol-4-yl]carbonylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[[3,5-dimethyl-1-(p-tolylmethyl)pyrazole-4-carbonyl]amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[[3,5-dimethyl-1-[(4-methylphenyl)methyl]-4-pyrazolyl]-oxomethyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[[3,5-dimethyl-1-[(4-methylphenyl)methyl]pyrazole-4-carbonyl]amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[[3,5-dimethyl-1-(4-methylbenzyl)pyrazole-4-carbonyl]amino]-3-(2-fluorophenyl)thiourea Formula: C21H22FN5OS MolecularWeight: 411.495683

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NNC(=S)NC3=CC=CC=C3F)C

Isomeric SMILES

CC1=CC=C(C=C1)CN2C(=C(C(=N2)C)C(=O)NNC(=S)NC3=CC=CC=C3F)C

InChI

InChI=1S/C21H22FN5OS/c1-13-8-10-16(11-9-13)12-27-15(3)19(14(2)26-27)20(28)24-25-21(29)23-18-7-5-4-6-17(18)22/h4-11H,12H2,1-3H3,(H,24,28)(H2,23,25,29)