1-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-1-(phenylmethyl)thiourea

Systemtic Name: 1-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-thiourea CAS Name: 1-[[3-(4-bromophenyl)-1-phenyl-4-pyrazolyl]methyl]-3-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[[3-(4-bromophenyl)-1-phenylpyrazol-4-yl]methyl]-3-phenylthiourea Traditional Name: 1-benzyl-1-[[3-(4-bromophenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-thiourea Formula: C30H25BrN4S MolecularWeight: 553.5153

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)CN(CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)C(=S)NC5=CC=CC=C5

InChI

InChI=1S/C30H25BrN4S/c31-26-18-16-24(17-19-26)29-25(22-35(33-29)28-14-8-3-9-15-28)21-34(20-23-10-4-1-5-11-23)30(36)32-27-12-6-2-7-13-27/h1-19,22H,20-21H2,(H,32,36)