1-(2-methyl-1H-indol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one

Systemtic Name: 1-(2-methyl-1H-indol-3-yl)-2-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-propan-1-one Openeye Name: 1-(2-methyl-1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanyl-propan-1-one CAS Name: 1-(2-methyl-1H-indol-3-yl)-2-[(1-oxido-2-pyridin-1-iumyl)thio]-1-propanone IUPAC Name: 1-(2-methyl-1H-indol-3-yl)-2-(1-oxidopyridin-1-ium-2-yl)sulfanylpropan-1-one Traditional Name: 1-(2-methyl-1H-indol-3-yl)-2-[(1-oxidopyridin-1-ium-2-yl)thio]propan-1-one Formula: C17H16N2O2S MolecularWeight: 312.38614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

CC1=C(C2=CC=CC=C2N1)C(=O)C(C)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C17H16N2O2S/c1-11-16(13-7-3-4-8-14(13)18-11)17(20)12(2)22-15-9-5-6-10-19(15)21/h3-10,12,18H,1-2H3