1-(4-butan-2-ylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea Openeye Name: 1-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-fluorophenyl)methyl]-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(4-fluorophenyl)methyl]pyrazol-4-yl]thiourea Traditional Name: 1-[1-(4-fluorobenzyl)pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea Formula: C21H23FN4S MolecularWeight: 382.497523

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)F

InChI

InChI=1S/C21H23FN4S/c1-3-15(2)17-6-10-19(11-7-17)24-21(27)25-20-12-23-26(14-20)13-16-4-8-18(22)9-5-16/h4-12,14-15H,3,13H2,1-2H3,(H2,24,25,27)