1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-ethanoylphenyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3-ethanoylphenyl)thiourea Openeye Name: 1-(3-acetylphenyl)-3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea CAS Name: 1-(3-acetylphenyl)-3-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]thiourea IUPAC Name: 1-(3-acetylphenyl)-3-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]thiourea Traditional Name: 1-(3-acetylphenyl)-3-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]thiourea Formula: C19H16BrClN4OS MolecularWeight: 463.77854

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CC(=O)C1=CC(=CC=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16BrClN4OS/c1-12(26)14-3-2-4-16(9-14)22-19(27)23-18-17(20)11-25(24-18)10-13-5-7-15(21)8-6-13/h2-9,11H,10H2,1H3,(H2,22,23,24,27)