[3-methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropoxy]pyridin-2-yl]methanol

Systemtic Name: [3-methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropoxy]pyridin-2-yl]methanol Openeye Name: [3-methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropoxy]-2-pyridyl]methanol CAS Name: [3-methyl-4-[3-[(3-nitro-6-imidazo[1,2-b]pyridazinyl)thio]propoxy]-2-pyridinyl]methanol IUPAC Name: [3-methyl-4-[3-(3-nitroimidazo[1,2-b]pyridazin-6-yl)sulfanylpropoxy]pyridin-2-yl]methanol Traditional Name: [3-methyl-4-[3-[(3-nitroimidazo[1,2-b]pyridazin-6-yl)thio]propoxy]-2-pyridyl]methanol Formula: C16H17N5O4S MolecularWeight: 375.40228

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CO)OCCCSC2=NN3C(=NC=C3[N+](=O)[O-])C=C2

Isomeric SMILES

CC1=C(C=CN=C1CO)OCCCSC2=NN3C(=NC=C3[N+](=O)[O-])C=C2

InChI

InChI=1S/C16H17N5O4S/c1-11-12(10-22)17-6-5-13(11)25-7-2-8-26-15-4-3-14-18-9-16(21(23)24)20(14)19-15/h3-6,9,22H,2,7-8,10H2,1H3