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

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

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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

Isomeric SMILES

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

InChI

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