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

Systemtic Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(1-phenylethyl)thiourea Openeye Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-pyrazol-4-yl]-3-(1-phenylethyl)thiourea CAS Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethyl-4-pyrazolyl]-3-(1-phenylethyl)thiourea IUPAC Name: 1-[1-[(4-bromophenyl)methyl]-3,5-dimethylpyrazol-4-yl]-3-(1-phenylethyl)thiourea Traditional Name: 1-[1-(4-bromobenzyl)-3,5-dimethyl-pyrazol-4-yl]-3-(1-phenylethyl)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)NC(C)C3=CC=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C21H23BrN4S/c1-14(18-7-5-4-6-8-18)23-21(27)24-20-15(2)25-26(16(20)3)13-17-9-11-19(22)12-10-17/h4-12,14H,13H2,1-3H3,(H2,23,24,27)