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

Systemtic Name: 1-[4-bromanyl-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea Openeye Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea CAS Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]-3-pyrazolyl]-3-(3,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(4-chlorophenyl)methyl]pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea Traditional Name: 1-[4-bromo-1-(4-chlorobenzyl)pyrazol-3-yl]-3-(3,4-dimethoxyphenyl)thiourea Formula: C19H18BrClN4O2S MolecularWeight: 481.79382

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=C(C=C3)Cl)OC

InChI

InChI=1S/C19H18BrClN4O2S/c1-26-16-8-7-14(9-17(16)27-2)22-19(28)23-18-15(20)11-25(24-18)10-12-3-5-13(21)6-4-12/h3-9,11H,10H2,1-2H3,(H2,22,23,24,28)