1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-propan-2-ylphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(4-isopropylphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(4-propan-2-ylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(4-propan-2-ylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-p-cumenyl-thiourea Formula: C22H25BrN4S MolecularWeight: 457.4297

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NC3=CC=C(C=C3)C(C)C

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NC3=CC=C(C=C3)C(C)C

InChI

InChI=1S/C22H25BrN4S/c1-14(2)18-7-11-20(12-8-18)24-22(28)25-21-15(3)26-27(16(21)4)13-17-5-9-19(23)10-6-17/h5-12,14H,13H2,1-4H3,(H2,24,25,28)