1-(2-ethyl-6-propan-2-yl-phenyl)-3-[1-(phenylsulfanylmethyl)pyrazol-4-yl]urea

Systemtic Name: 1-(2-ethyl-6-propan-2-yl-phenyl)-3-[1-(phenylsulfanylmethyl)pyrazol-4-yl]urea Openeye Name: 1-(2-ethyl-6-isopropyl-phenyl)-3-[1-(phenylsulfanylmethyl)pyrazol-4-yl]urea CAS Name: 1-(2-ethyl-6-propan-2-ylphenyl)-3-[1-[(phenylthio)methyl]-4-pyrazolyl]urea IUPAC Name: 1-(2-ethyl-6-propan-2-ylphenyl)-3-[1-(phenylsulfanylmethyl)pyrazol-4-yl]urea Traditional Name: 1-(2-ethyl-6-isopropyl-phenyl)-3-[1-[(phenylthio)methyl]pyrazol-4-yl]urea Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CN(N=C2)CSC3=CC=CC=C3

Isomeric SMILES

CCC1=C(C(=CC=C1)C(C)C)NC(=O)NC2=CN(N=C2)CSC3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-4-17-9-8-12-20(16(2)3)21(17)25-22(27)24-18-13-23-26(14-18)15-28-19-10-6-5-7-11-19/h5-14,16H,4,15H2,1-3H3,(H2,24,25,27)