1-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[4-bromo-1-[(2-fluorophenyl)methyl]-3-pyrazolyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(2-fluorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-[4-bromo-1-(2-fluorobenzyl)pyrazol-3-yl]-3-(3,5-dimethoxyphenyl)thiourea Formula: C19H18BrFN4O2S MolecularWeight: 465.339223

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3F)OC

Isomeric SMILES

COC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3F)OC

InChI

InChI=1S/C19H18BrFN4O2S/c1-26-14-7-13(8-15(9-14)27-2)22-19(28)23-18-16(20)11-25(24-18)10-12-5-3-4-6-17(12)21/h3-9,11H,10H2,1-2H3,(H2,22,23,24,28)