1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(2-phenylsulfanylethyl)urea

Systemtic Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(2-phenylsulfanylethyl)urea Openeye Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-(2-phenylsulfanylethyl)urea CAS Name: 1-[(3,5-dimethyl-1-phenyl-4-pyrazolyl)methyl]-3-[2-(phenylthio)ethyl]urea IUPAC Name: 1-[(3,5-dimethyl-1-phenylpyrazol-4-yl)methyl]-3-(2-phenylsulfanylethyl)urea Traditional Name: 1-[(3,5-dimethyl-1-phenyl-pyrazol-4-yl)methyl]-3-[2-(phenylthio)ethyl]urea Formula: C21H24N4OS MolecularWeight: 380.50646

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCSC3=CC=CC=C3

Isomeric SMILES

CC1=C(C(=NN1C2=CC=CC=C2)C)CNC(=O)NCCSC3=CC=CC=C3

InChI

InChI=1S/C21H24N4OS/c1-16-20(17(2)25(24-16)18-9-5-3-6-10-18)15-23-21(26)22-13-14-27-19-11-7-4-8-12-19/h3-12H,13-15H2,1-2H3,(H2,22,23,26)