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

Systemtic Name: 1-[4-bromanyl-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-butylphenyl)thiourea Openeye Name: 1-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-butylphenyl)thiourea CAS Name: 1-[4-bromo-1-[(2-chlorophenyl)methyl]-3-pyrazolyl]-3-(4-butylphenyl)thiourea IUPAC Name: 1-[4-bromo-1-[(2-chlorophenyl)methyl]pyrazol-3-yl]-3-(4-butylphenyl)thiourea Traditional Name: 1-[4-bromo-1-(2-chlorobenzyl)pyrazol-3-yl]-3-(4-butylphenyl)thiourea Formula: C21H22BrClN4S MolecularWeight: 477.84818

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=S)NC2=NN(C=C2Br)CC3=CC=CC=C3Cl

InChI

InChI=1S/C21H22BrClN4S/c1-2-3-6-15-9-11-17(12-10-15)24-21(28)25-20-18(22)14-27(26-20)13-16-7-4-5-8-19(16)23/h4-5,7-12,14H,2-3,6,13H2,1H3,(H2,24,25,26,28)