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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=C(C=CC=C3Cl)F

InChI

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