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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3,5-dimethoxyphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(3,5-dimethoxyphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(3,5-dimethoxyphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(3,5-dimethoxyphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(3,5-dimethoxyphenyl)thiourea Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4O2S/c1-13-20(14(2)26(25-13)12-15-5-7-16(22)8-6-15)24-21(29)23-17-9-18(27-3)11-19(10-17)28-4/h5-11H,12H2,1-4H3,(H2,23,24,29)