1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-methylsulfanyl-methyl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-methylsulfanyl-methyl]amino]phenyl]ethanone Openeye Name: 1-[4-[[(2-methylindolin-1-ium-1-ylidene)-methylsulfanyl-methyl]amino]phenyl]ethanone CAS Name: 1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-(methylthio)methyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[(2-methyl-2,3-dihydroindol-1-ium-1-ylidene)-methylsulfanylmethyl]amino]phenyl]ethanone Traditional Name: 1-[4-[[(2-methylindolin-1-ium-1-ylidene)-(methylthio)methyl]amino]phenyl]ethanone Formula: C19H21N2OS+ MolecularWeight: 325.44784

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2[N+]1=C(NC3=CC=C(C=C3)C(=O)C)SC

Isomeric SMILES

CC1CC2=CC=CC=C2[N+]1=C(NC3=CC=C(C=C3)C(=O)C)SC

InChI

InChI=1S/C19H20N2OS/c1-13-12-16-6-4-5-7-18(16)21(13)19(23-3)20-17-10-8-15(9-11-17)14(2)22/h4-11,13H,12H2,1-3H3/p+1