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

Systemtic Name: 3-[1-[(4-bromophenyl)methyl]-4,5-dimethyl-pyrazol-3-yl]-1,1-bis(phenylmethyl)thiourea Openeye Name: 1,1-dibenzyl-3-[1-[(4-bromophenyl)methyl]-4,5-dimethyl-pyrazol-3-yl]thiourea CAS Name: 3-[1-[(4-bromophenyl)methyl]-4,5-dimethyl-3-pyrazolyl]-1,1-bis(phenylmethyl)thiourea IUPAC Name: 1,1-dibenzyl-3-[1-[(4-bromophenyl)methyl]-4,5-dimethylpyrazol-3-yl]thiourea Traditional Name: 1,1-dibenzyl-3-[1-(4-bromobenzyl)-4,5-dimethyl-pyrazol-3-yl]thiourea Formula: C27H27BrN4S MolecularWeight: 519.49908

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N(N=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Br)C

Isomeric SMILES

CC1=C(N(N=C1NC(=S)N(CC2=CC=CC=C2)CC3=CC=CC=C3)CC4=CC=C(C=C4)Br)C

InChI

InChI=1S/C27H27BrN4S/c1-20-21(2)32(19-24-13-15-25(28)16-14-24)30-26(20)29-27(33)31(17-22-9-5-3-6-10-22)18-23-11-7-4-8-12-23/h3-16H,17-19H2,1-2H3,(H,29,30,33)