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

Systemtic Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(4-butan-2-ylphenyl)-3-[1-[(3-fluorophenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-[1-(3-fluorobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea Formula: C23H27FN4S MolecularWeight: 410.550683

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)F)C

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=C(N(N=C2C)CC3=CC(=CC=C3)F)C

InChI

InChI=1S/C23H27FN4S/c1-5-15(2)19-9-11-21(12-10-19)25-23(29)26-22-16(3)27-28(17(22)4)14-18-7-6-8-20(24)13-18/h6-13,15H,5,14H2,1-4H3,(H2,25,26,29)