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

Systemtic Name: 6-chloranyl-7-methyl-4-[(1-oxidanidylpyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Openeye Name: 6-chloro-7-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one CAS Name: 6-chloro-7-methyl-4-[[(1-oxido-2-pyridin-1-iumyl)thio]methyl]-1-benzopyran-2-one IUPAC Name: 6-chloro-7-methyl-4-[(1-oxidopyridin-1-ium-2-yl)sulfanylmethyl]chromen-2-one Traditional Name: 6-chloro-7-methyl-4-[[(1-oxidopyridin-1-ium-2-yl)thio]methyl]coumarin Formula: C16H12ClNO3S MolecularWeight: 333.78938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC=[N+]3[O-])Cl

Isomeric SMILES

CC1=C(C=C2C(=CC(=O)OC2=C1)CSC3=CC=CC=[N+]3[O-])Cl

InChI

InChI=1S/C16H12ClNO3S/c1-10-6-14-12(8-13(10)17)11(7-16(19)21-14)9-22-15-4-2-3-5-18(15)20/h2-8H,9H2,1H3