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

Systemtic Name: 1-(2-dimethylaminoethyl)-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Openeye Name: 1-(2-dimethylaminoethyl)-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea CAS Name: 1-(2-dimethylaminoethyl)-3-[[3-(4-fluorophenyl)-1-phenyl-4-pyrazolyl]methyl]thiourea IUPAC Name: 1-(2-dimethylaminoethyl)-3-[[3-(4-fluorophenyl)-1-phenylpyrazol-4-yl]methyl]thiourea Traditional Name: 1-(2-dimethylaminoethyl)-3-[[3-(4-fluorophenyl)-1-phenyl-pyrazol-4-yl]methyl]thiourea Formula: C21H24FN5S MolecularWeight: 397.512163

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

Isomeric SMILES

CN(C)CCNC(=S)NCC1=CN(N=C1C2=CC=C(C=C2)F)C3=CC=CC=C3

InChI

InChI=1S/C21H24FN5S/c1-26(2)13-12-23-21(28)24-14-17-15-27(19-6-4-3-5-7-19)25-20(17)16-8-10-18(22)11-9-16/h3-11,15H,12-14H2,1-2H3,(H2,23,24,28)