3-methyl-8-(2-methylfuran-3-yl)sulfanyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-3,4-dihydro-2H-naphthalen-1-one

Systemtic Name: 3-methyl-8-(2-methylfuran-3-yl)sulfanyl-5-(1-oxidanidylpyridin-1-ium-2-yl)-3,4-dihydro-2H-naphthalen-1-one Openeye Name: 3-methyl-8-[(2-methyl-3-furyl)sulfanyl]-5-(1-oxidopyridin-1-ium-2-yl)tetralin-1-one CAS Name: 3-methyl-8-[(2-methyl-3-furanyl)thio]-5-(1-oxido-2-pyridin-1-iumyl)-3,4-dihydro-2H-naphthalen-1-one IUPAC Name: 3-methyl-8-(2-methylfuran-3-yl)sulfanyl-5-(1-oxidopyridin-1-ium-2-yl)-3,4-dihydro-2H-naphthalen-1-one Traditional Name: 3-methyl-8-[(2-methyl-3-furyl)thio]-5-(1-oxidopyridin-1-ium-2-yl)tetralin-1-one Formula: C21H19NO3S MolecularWeight: 365.44546

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=C(C=CC(=C2C(=O)C1)SC3=C(OC=C3)C)C4=CC=CC=[N+]4[O-]

Isomeric SMILES

CC1CC2=C(C=CC(=C2C(=O)C1)SC3=C(OC=C3)C)C4=CC=CC=[N+]4[O-]

InChI

InChI=1S/C21H19NO3S/c1-13-11-16-15(17-5-3-4-9-22(17)24)6-7-20(21(16)18(23)12-13)26-19-8-10-25-14(19)2/h3-10,13H,11-12H2,1-2H3