1-(4-butan-2-ylphenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-chloranyl-6-fluoranyl-phenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[1-[(2-chloro-6-fluoro-phenyl)methyl]pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-[1-(2-chloro-6-fluoro-benzyl)pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea Formula: C21H22ClFN4S MolecularWeight: 416.942583

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C21H22ClFN4S/c1-3-14(2)15-7-9-16(10-8-15)25-21(28)26-17-11-24-27(12-17)13-18-19(22)5-4-6-20(18)23/h4-12,14H,3,13H2,1-2H3,(H2,25,26,28)