1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methylphenyl)thiourea

Systemtic Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(2-methylphenyl)thiourea Openeye Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(o-tolyl)thiourea CAS Name: 1-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-(2-methylphenyl)thiourea IUPAC Name: 1-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]-3-(2-methylphenyl)thiourea Traditional Name: 1-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-(o-tolyl)thiourea Formula: C24H21FN4S MolecularWeight: 416.513743

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1NC(=S)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

CC1=CC=CC=C1NC(=S)NCC2=CN(N=C2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C24H21FN4S/c1-17-7-5-6-10-22(17)27-24(30)26-15-19-16-29(21-8-3-2-4-9-21)28-23(19)18-11-13-20(25)14-12-18/h2-14,16H,15H2,1H3,(H2,26,27,30)