4-(2-azanylethyl)-3-(6-nitro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione hydrochloride

Systemtic Name: 4-(2-azanylethyl)-3-(6-nitro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione hydrochloride Openeye Name: 4-(2-aminoethyl)-3-(6-nitrochroman-3-yl)-1H-imidazole-2-thione hydrochloride CAS Name: 4-(2-aminoethyl)-3-(6-nitro-3,4-dihydro-2H-1-benzopyran-3-yl)-1H-imidazole-2-thione hydrochloride IUPAC Name: 4-(2-aminoethyl)-3-(6-nitro-3,4-dihydro-2H-chromen-3-yl)-1H-imidazole-2-thione hydrochloride Traditional Name: 5-(2-aminoethyl)-1-(6-nitrochroman-3-yl)-4-imidazoline-2-thione hydrochloride Formula: C14H17ClN4O3S MolecularWeight: 356.82778

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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

C1C(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