1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]sulfonyl-3-butyl-urea

Systemtic Name: 1-[4-(4-bromanyl-3,5-dimethyl-pyrazol-1-yl)phenyl]sulfonyl-3-butyl-urea Openeye Name: 1-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]sulfonyl-3-butyl-urea CAS Name: 1-[4-(4-bromo-3,5-dimethyl-1-pyrazolyl)phenyl]sulfonyl-3-butylurea IUPAC Name: 1-[4-(4-bromo-3,5-dimethylpyrazol-1-yl)phenyl]sulfonyl-3-butylurea Traditional Name: 1-[4-(4-bromo-3,5-dimethyl-pyrazol-1-yl)phenyl]sulfonyl-3-butyl-urea Formula: C16H21BrN4O3S MolecularWeight: 429.33194

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)Br)C

Isomeric SMILES

CCCCNC(=O)NS(=O)(=O)C1=CC=C(C=C1)N2C(=C(C(=N2)C)Br)C

InChI

InChI=1S/C16H21BrN4O3S/c1-4-5-10-18-16(22)20-25(23,24)14-8-6-13(7-9-14)21-12(3)15(17)11(2)19-21/h6-9H,4-5,10H2,1-3H3,(H2,18,20,22)