1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-phenylsulfanylpropyl)urea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-phenylsulfanylpropyl)urea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(3-phenylsulfanylpropyl)urea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[3-(phenylthio)propyl]urea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(3-phenylsulfanylpropyl)urea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[3-(phenylthio)propyl]urea Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCCSC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-17-21(18(2)26(25-17)19-10-5-3-6-11-19)16-24-22(27)23-14-9-15-28-20-12-7-4-8-13-20/h3-8,10-13H,9,14-16H2,1-2H3,(H2,23,24,27)