4-(2-azanylethyl)-3-[(3R)-6-nitro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione chloride

Systemtic Name: 4-(2-azanylethyl)-3-[(3R)-6-nitro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione chloride Openeye Name: 4-(2-aminoethyl)-3-[(3R)-6-nitrochroman-3-yl]-1H-imidazole-2-thione chloride CAS Name: 4-(2-aminoethyl)-3-[(3R)-6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl]-1H-imidazole-2-thione chloride IUPAC Name: 4-(2-aminoethyl)-3-[(3R)-6-nitro-3,4-dihydro-2H-chromen-3-yl]-1H-imidazole-2-thione chloride Traditional Name: 5-(2-aminoethyl)-1-[(3R)-6-nitrochroman-3-yl]-4-imidazoline-2-thione chloride Formula: C14H16ClN4O3S- MolecularWeight: 355.81984

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Descriptors Computed from Structure

Canonical SMILES:

C1C(COC2=C1C=C(C=C2)[N+](=O)[O-])N3C(=CNC3=S)CCN.[Cl-]

Isomeric SMILES

C1[C@H](COC2=C1C=C(C=C2)[N+](=O)[O-])N3C(=CNC3=S)CCN.[Cl-]

InChI

InChI=1S/C14H16N4O3S.ClH/c15-4-3-11-7-16-14(22)17(11)12-6-9-5-10(18(19)20)1-2-13(9)21-8-12;/h1-2,5,7,12H,3-4,6,8,15H2,(H,16,22);1H/p-1/t12-;/m1./s1