1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2,5-dimethylphenyl)thiourea

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2,5-dimethylphenyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(2,5-dimethylphenyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(2,5-dimethylphenyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(2,5-dimethylphenyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(2,5-dimethylphenyl)thiourea Formula: C21H23BrN4S MolecularWeight: 443.40312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)NC(=S)NC2=C(N(N=C2C)CC3=CC=C(C=C3)Br)C

InChI

InChI=1S/C21H23BrN4S/c1-13-5-6-14(2)19(11-13)23-21(27)24-20-15(3)25-26(16(20)4)12-17-7-9-18(22)10-8-17/h5-11H,12H2,1-4H3,(H2,23,24,27)