1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-(2-fluorophenyl)thiourea

Systemtic Name: 1-[[3,5-dimethyl-1-(phenylmethyl)pyrazol-4-yl]carbonylamino]-3-(2-fluorophenyl)thiourea Openeye Name: 1-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]-3-(2-fluorophenyl)thiourea CAS Name: 1-[[[3,5-dimethyl-1-(phenylmethyl)-4-pyrazolyl]-oxomethyl]amino]-3-(2-fluorophenyl)thiourea IUPAC Name: 1-[(1-benzyl-3,5-dimethylpyrazole-4-carbonyl)amino]-3-(2-fluorophenyl)thiourea Traditional Name: 1-[(1-benzyl-3,5-dimethyl-pyrazole-4-carbonyl)amino]-3-(2-fluorophenyl)thiourea Formula: C20H20FN5OS MolecularWeight: 397.469103

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NNC(=S)NC3=CC=CC=C3F

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=CC=C2)C)C(=O)NNC(=S)NC3=CC=CC=C3F

InChI

InChI=1S/C20H20FN5OS/c1-13-18(14(2)26(25-13)12-15-8-4-3-5-9-15)19(27)23-24-20(28)22-17-11-7-6-10-16(17)21/h3-11H,12H2,1-2H3,(H,23,27)(H2,22,24,28)