1-butoxy-1-methyl-3-[4-[3,4,5,6-tetrakis(bromanyl)pyridin-2-yl]sulfanylphenyl]urea

Systemtic Name: 1-butoxy-1-methyl-3-[4-[3,4,5,6-tetrakis(bromanyl)pyridin-2-yl]sulfanylphenyl]urea Openeye Name: 1-butoxy-1-methyl-3-[4-[(3,4,5,6-tetrabromo-2-pyridyl)sulfanyl]phenyl]urea CAS Name: 1-butoxy-1-methyl-3-[4-[(3,4,5,6-tetrabromo-2-pyridinyl)thio]phenyl]urea IUPAC Name: 1-butoxy-1-methyl-3-[4-(3,4,5,6-tetrabromopyridin-2-yl)sulfanylphenyl]urea Traditional Name: 1-butoxy-1-methyl-3-[4-[(3,4,5,6-tetrabromo-2-pyridyl)thio]phenyl]urea Formula: C17H17Br4N3O2S MolecularWeight: 647.01678

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Descriptors Computed from Structure

Canonical SMILES:

CCCCON(C)C(=O)NC1=CC=C(C=C1)SC2=NC(=C(C(=C2Br)Br)Br)Br

Isomeric SMILES

CCCCON(C)C(=O)NC1=CC=C(C=C1)SC2=NC(=C(C(=C2Br)Br)Br)Br

InChI

InChI=1S/C17H17Br4N3O2S/c1-3-4-9-26-24(2)17(25)22-10-5-7-11(8-6-10)27-16-14(20)12(18)13(19)15(21)23-16/h5-8H,3-4,9H2,1-2H3,(H,22,25)