1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea

Systemtic Name: 1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea Openeye Name: 1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea CAS Name: 1-[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]-3-(2,3-dimethylphenyl)thiourea IUPAC Name: 1-[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea Traditional Name: 1-[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]-3-(2,3-dimethylphenyl)thiourea Formula: C24H21BrN4S MolecularWeight: 477.41934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)NC(=S)NC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C

Isomeric SMILES

CC1=C(C(=CC=C1)NC(=S)NC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C

InChI

InChI=1S/C24H21BrN4S/c1-16-7-6-10-21(17(16)2)26-24(30)27-22-15-29(20-8-4-3-5-9-20)28-23(22)18-11-13-19(25)14-12-18/h3-15H,1-2H3,(H2,26,27,30)