3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-pyridin-4-yl]oxypropyl nitrate

Systemtic Name: 3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-pyridin-4-yl]oxypropyl nitrate Openeye Name: 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridyl]oxy]propyl nitrate CAS Name: nitric acid 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridinyl]oxy]propyl ester IUPAC Name: 3-[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methylpyridin-4-yl]oxypropyl nitrate Traditional Name: nitric acid 3-[[2-(1H-benzimidazol-2-ylsulfinylmethyl)-3-methyl-4-pyridyl]oxy]propyl ester Formula: C17H18N4O5S MolecularWeight: 390.41362

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCO[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CN=C1CS(=O)C2=NC3=CC=CC=C3N2)OCCCO[N+](=O)[O-]

InChI

InChI=1S/C17H18N4O5S/c1-12-15(18-8-7-16(12)25-9-4-10-26-21(22)23)11-27(24)17-19-13-5-2-3-6-14(13)20-17/h2-3,5-8H,4,9-11H2,1H3,(H,19,20)