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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=C(C=C(C=C3)Cl)Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=C(C=C(C=C3)Cl)Cl

InChI

InChI=1S/C21H21BrCl2N4S/c1-2-3-4-14-5-9-17(10-6-14)25-21(29)26-20-18(22)13-28(27-20)12-15-7-8-16(23)11-19(15)24/h5-11,13H,2-4,12H2,1H3,(H2,25,26,27,29)