2-[4-methyl-3-[2-methyl-4-[(2-nitrophenyl)sulfanylamino]pyrimidin-5-yl]-1,3-thiazol-3-ium-5-yl]ethanol

Systemtic Name: 2-[4-methyl-3-[2-methyl-4-[(2-nitrophenyl)sulfanylamino]pyrimidin-5-yl]-1,3-thiazol-3-ium-5-yl]ethanol Openeye Name: 2-[4-methyl-3-[2-methyl-4-[(2-nitrophenyl)sulfanylamino]pyrimidin-5-yl]thiazol-3-ium-5-yl]ethanol CAS Name: N-[5-[5-(2-hydroxyethyl)-4-methyl-3-thiazol-3-iumyl]-2-methyl-4-pyrimidinyl]-2-nitrobenzenesulfenamide IUPAC Name: 2-[4-methyl-3-[2-methyl-4-[(2-nitrophenyl)sulfanylamino]pyrimidin-5-yl]-1,3-thiazol-3-ium-5-yl]ethanol Traditional Name: 2-[4-methyl-3-[2-methyl-4-[[(2-nitrophenyl)thio]amino]pyrimidin-5-yl]thiazol-3-ium-5-yl]ethanol Formula: C17H18N5O3S2+ MolecularWeight: 404.48652

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC=[N+]1C2=CN=C(N=C2NSC3=CC=CC=C3[N+](=O)[O-])C)CCO

Isomeric SMILES

CC1=C(SC=[N+]1C2=CN=C(N=C2NSC3=CC=CC=C3[N+](=O)[O-])C)CCO

InChI

InChI=1S/C17H18N5O3S2/c1-11-15(7-8-23)26-10-21(11)14-9-18-12(2)19-17(14)20-27-16-6-4-3-5-13(16)22(24)25/h3-6,9-10,23H,7-8H2,1-2H3,(H,18,19,20)/q+1