(1E,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one

Systemtic Name: (1E,3R)-3-(1-oxidanidylpyridin-1-ium-2-yl)sulfanyl-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one Openeye Name: (1E,3R)-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(1,3,3-trimethylindolin-2-ylidene)butan-2-one CAS Name: (1E,3R)-3-[(1-oxido-2-pyridin-1-iumyl)thio]-1-(1,3,3-trimethyl-2-indolylidene)-2-butanone IUPAC Name: (1E,3R)-3-(1-oxidopyridin-1-ium-2-yl)sulfanyl-1-(1,3,3-trimethylindol-2-ylidene)butan-2-one Traditional Name: (1E,3R)-3-[(1-oxidopyridin-1-ium-2-yl)thio]-1-(1,3,3-trimethylindolin-2-ylidene)butan-2-one Formula: C20H22N2O2S MolecularWeight: 354.46588

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C=C1C(C2=CC=CC=C2N1C)(C)C)SC3=CC=CC=[N+]3[O-]

Isomeric SMILES

C[C@H](C(=O)/C=C/1\C(C2=CC=CC=C2N1C)(C)C)SC3=CC=CC=[N+]3[O-]

InChI

InChI=1S/C20H22N2O2S/c1-14(25-19-11-7-8-12-22(19)24)17(23)13-18-20(2,3)15-9-5-6-10-16(15)21(18)4/h5-14H,1-4H3/b18-13+/t14-/m1/s1