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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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