5-(hydroxymethyl)-2-methyl-4-[[(4-nitrophenyl)sulfanylamino]methyl]pyridin-3-ol

Systemtic Name: 5-(hydroxymethyl)-2-methyl-4-[[(4-nitrophenyl)sulfanylamino]methyl]pyridin-3-ol Openeye Name: 5-(hydroxymethyl)-2-methyl-4-[[(4-nitrophenyl)sulfanylamino]methyl]pyridin-3-ol CAS Name: N-[[3-hydroxy-5-(hydroxymethyl)-2-methyl-4-pyridinyl]methyl]-4-nitrobenzenesulfenamide IUPAC Name: 5-(hydroxymethyl)-2-methyl-4-[[(4-nitrophenyl)sulfanylamino]methyl]pyridin-3-ol Traditional Name: 2-methyl-5-methylol-4-[[[(4-nitrophenyl)thio]amino]methyl]pyridin-3-ol Formula: C14H15N3O4S MolecularWeight: 321.3516

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC=C(C(=C1O)CNSC2=CC=C(C=C2)[N+](=O)[O-])CO

Isomeric SMILES

CC1=NC=C(C(=C1O)CNSC2=CC=C(C=C2)[N+](=O)[O-])CO

InChI

InChI=1S/C14H15N3O4S/c1-9-14(19)13(10(8-18)6-15-9)7-16-22-12-4-2-11(3-5-12)17(20)21/h2-6,16,18-19H,7-8H2,1H3