1-(2-methylpyridin-1-ium-1-yl)-3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one

Systemtic Name: 1-(2-methylpyridin-1-ium-1-yl)-3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one Openeye Name: 1-(2-methylpyridin-1-ium-1-yl)-3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one CAS Name: 1-(2-methyl-1-pyridin-1-iumyl)-3-[(5-nitro-1,3-benzothiazol-2-yl)thio]-2-propanone IUPAC Name: 1-(2-methylpyridin-1-ium-1-yl)-3-[(5-nitro-1,3-benzothiazol-2-yl)sulfanyl]propan-2-one Traditional Name: 1-(2-methylpyridin-1-ium-1-yl)-3-[(5-nitro-1,3-benzothiazol-2-yl)thio]acetone Formula: C16H14N3O3S2+ MolecularWeight: 360.43066

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=[N+]1CC(=O)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=[N+]1CC(=O)CSC2=NC3=C(S2)C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N3O3S2/c1-11-4-2-3-7-18(11)9-13(20)10-23-16-17-14-8-12(19(21)22)5-6-15(14)24-16/h2-8H,9-10H2,1H3/q+1