1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3-pyrazolyl]-3-(2,4-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)pyrazol-3-yl]-3-(2,4-dimethoxyphenyl)thiourea Formula: C19H19BrN4O2S MolecularWeight: 447.34876

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)OC

Isomeric SMILES

COC1=CC(=C(C=C1)NC(=S)NC2=NN(C=C2)CC3=CC=C(C=C3)Br)OC

InChI

InChI=1S/C19H19BrN4O2S/c1-25-15-7-8-16(17(11-15)26-2)21-19(27)22-18-9-10-24(23-18)12-13-3-5-14(20)6-4-13/h3-11H,12H2,1-2H3,(H2,21,22,23,27)