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

Systemtic Name: 1-(4-bromophenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea Openeye Name: 1-(4-bromophenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]thiourea CAS Name: 1-(4-bromophenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethyl-4-pyrazolyl]thiourea IUPAC Name: 1-(4-bromophenyl)-3-[1-[(3-methoxyphenyl)methyl]-3,5-dimethylpyrazol-4-yl]thiourea Traditional Name: 1-(4-bromophenyl)-3-(1-m-anisyl-3,5-dimethyl-pyrazol-4-yl)thiourea Formula: C20H21BrN4OS MolecularWeight: 445.37594

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21BrN4OS/c1-13-19(23-20(27)22-17-9-7-16(21)8-10-17)14(2)25(24-13)12-15-5-4-6-18(11-15)26-3/h4-11H,12H2,1-3H3,(H2,22,23,27)