1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-butyl-thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-butyl-thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-butyl-thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-butylthiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-butylthiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-butyl-thiourea Formula: C17H23BrN4S MolecularWeight: 395.36032

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=S)NC1=C(N(N=C1C)CC2=CC=C(C=C2)Br)C

Isomeric SMILES

CCCCNC(=S)NC1=C(N(N=C1C)CC2=CC=C(C=C2)Br)C

InChI

InChI=1S/C17H23BrN4S/c1-4-5-10-19-17(23)20-16-12(2)21-22(13(16)3)11-14-6-8-15(18)9-7-14/h6-9H,4-5,10-11H2,1-3H3,(H2,19,20,23)