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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-butan-2-ylphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-4-pyrazolyl]-3-(4-butan-2-ylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-4-yl]-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-4-yl]-3-(4-sec-butylphenyl)thiourea Formula: C21H23BrN4S MolecularWeight: 443.40312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

CCC(C)C1=CC=C(C=C1)NC(=S)NC2=CN(N=C2)CC3=CC=C(C=C3)Br

InChI

InChI=1S/C21H23BrN4S/c1-3-15(2)17-6-10-19(11-7-17)24-21(27)25-20-12-23-26(14-20)13-16-4-8-18(22)9-5-16/h4-12,14-15H,3,13H2,1-2H3,(H2,24,25,27)