1-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-butan-2-ylphenyl)thiourea

Systemtic Name: 1-[4-bromanyl-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-butan-2-ylphenyl)thiourea Openeye Name: 1-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-[4-bromo-1-[(3,4-dichlorophenyl)methyl]-3-pyrazolyl]-3-(4-butan-2-ylphenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(3,4-dichlorophenyl)methyl]pyrazol-3-yl]-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-[4-bromo-1-(3,4-dichlorobenzyl)pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea Formula: C21H21BrCl2N4S MolecularWeight: 512.29324

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21BrCl2N4S/c1-3-13(2)15-5-7-16(8-6-15)25-21(29)26-20-17(22)12-28(27-20)11-14-4-9-18(23)19(24)10-14/h4-10,12-13H,3,11H2,1-2H3,(H2,25,26,27,29)