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

Systemtic Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[1-(phenylsulfanylmethyl)pyrazol-4-yl]urea Openeye Name: 1-(2,6-diisopropylphenyl)-3-[1-(phenylsulfanylmethyl)pyrazol-4-yl]urea CAS Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[1-[(phenylthio)methyl]-4-pyrazolyl]urea IUPAC Name: 1-[2,6-di(propan-2-yl)phenyl]-3-[1-(phenylsulfanylmethyl)pyrazol-4-yl]urea Traditional Name: 1-(2,6-diisopropylphenyl)-3-[1-[(phenylthio)methyl]pyrazol-4-yl]urea Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H28N4OS/c1-16(2)20-11-8-12-21(17(3)4)22(20)26-23(28)25-18-13-24-27(14-18)15-29-19-9-6-5-7-10-19/h5-14,16-17H,15H2,1-4H3,(H2,25,26,28)