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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCCC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1CC2=CC=C(C=C2)Br)C)NC(=S)NCCC3=CC=CC=C3

InChI

InChI=1S/C21H23BrN4S/c1-15-20(24-21(27)23-13-12-17-6-4-3-5-7-17)16(2)26(25-15)14-18-8-10-19(22)11-9-18/h3-11H,12-14H2,1-2H3,(H2,23,24,27)