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

Systemtic Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-1-(phenylmethyl)thiourea Openeye Name: 1-benzyl-1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-thiourea CAS Name: 1-[[3-(4-methoxyphenyl)-1-phenyl-4-pyrazolyl]methyl]-3-phenyl-1-(phenylmethyl)thiourea IUPAC Name: 1-benzyl-1-[[3-(4-methoxyphenyl)-1-phenylpyrazol-4-yl]methyl]-3-phenylthiourea Traditional Name: 1-benzyl-1-[[3-(4-methoxyphenyl)-1-phenyl-pyrazol-4-yl]methyl]-3-phenyl-thiourea Formula: C31H28N4OS MolecularWeight: 504.64522

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=NN(C=C2CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

Isomeric SMILES

COC1=CC=C(C=C1)C2=NN(C=C2CN(CC3=CC=CC=C3)C(=S)NC4=CC=CC=C4)C5=CC=CC=C5

InChI

InChI=1S/C31H28N4OS/c1-36-29-19-17-25(18-20-29)30-26(23-35(33-30)28-15-9-4-10-16-28)22-34(21-24-11-5-2-6-12-24)31(37)32-27-13-7-3-8-14-27/h2-20,23H,21-22H2,1H3,(H,32,37)