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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-butan-2-ylphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-sec-butylphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(4-butan-2-ylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(4-butan-2-ylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-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=NN(C=C2)CC3=CC=C(C=C3)Br

Isomeric SMILES

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

InChI

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