1-[4-(4-butoxyphenyl)sulfanylphenyl]-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)urea

Systemtic Name: 1-[4-(4-butoxyphenyl)sulfanylphenyl]-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)urea Openeye Name: 1-[4-(4-butoxyphenyl)sulfanylphenyl]-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)urea CAS Name: 1-[4-[(4-butoxyphenyl)thio]phenyl]-3-(5-tert-butyl-2-methyl-3-pyrazolyl)urea IUPAC Name: 1-[4-(4-butoxyphenyl)sulfanylphenyl]-3-(5-tert-butyl-2-methylpyrazol-3-yl)urea Traditional Name: 1-[4-[(4-butoxyphenyl)thio]phenyl]-3-(5-tert-butyl-2-methyl-pyrazol-3-yl)urea Formula: C25H32N4O2S MolecularWeight: 452.61218

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)NC3=CC(=NN3C)C(C)(C)C

Isomeric SMILES

CCCCOC1=CC=C(C=C1)SC2=CC=C(C=C2)NC(=O)NC3=CC(=NN3C)C(C)(C)C

InChI

InChI=1S/C25H32N4O2S/c1-6-7-16-31-19-10-14-21(15-11-19)32-20-12-8-18(9-13-20)26-24(30)27-23-17-22(25(2,3)4)28-29(23)5/h8-15,17H,6-7,16H2,1-5H3,(H2,26,27,30)