7-methyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one

Systemtic Name: 7-methyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 7-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 7-methyl-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 7-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 7-methyl-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarin Formula: C16H13NO3S MolecularWeight: 299.34432

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CC(=O)O2)CSC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C16H13NO3S/c1-11-5-6-13-12(9-16(18)20-14(13)8-11)10-21-15-4-2-3-7-17(15)19/h2-9H,10H2,1H3