1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea Openeye Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea CAS Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3-(3,5-dimethylphenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea Traditional Name: 1-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-3-(3,5-dimethylphenyl)thiourea Formula: C19H18BrClN4S MolecularWeight: 449.79502

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C

Isomeric SMILES

CC1=CC(=CC(=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)C

InChI

InChI=1S/C19H18BrClN4S/c1-12-7-13(2)9-16(8-12)22-19(26)23-18-17(20)11-25(24-18)10-14-3-5-15(21)6-4-14/h3-9,11H,10H2,1-2H3,(H2,22,23,24,26)