3-methyl-2-[1-(4-methylphenyl)sulfonyl-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium

Systemtic Name: 3-methyl-2-[1-(4-methylphenyl)sulfonyl-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Openeye Name: 3-methyl-2-[1-(p-tolylsulfonyl)-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium CAS Name: 3-methyl-2-[1-(4-methylphenyl)sulfonyl-3-(1,3,3-trimethyl-2-indolylidene)prop-1-enyl]-1,3-benzothiazol-3-ium IUPAC Name: 3-methyl-2-[1-(4-methylphenyl)sulfonyl-3-(1,3,3-trimethylindol-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Traditional Name: 3-methyl-2-[1-tosyl-3-(1,3,3-trimethylindolin-2-ylidene)prop-1-enyl]-1,3-benzothiazol-3-ium Formula: C29H29N2O2S2+ MolecularWeight: 501.68276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C(=CC=C2C(C3=CC=CC=C3N2C)(C)C)C4=[N+](C5=CC=CC=C5S4)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C(=CC=C2C(C3=CC=CC=C3N2C)(C)C)C4=[N+](C5=CC=CC=C5S4)C

InChI

InChI=1S/C29H29N2O2S2/c1-20-14-16-21(17-15-20)35(32,33)26(28-31(5)24-12-8-9-13-25(24)34-28)18-19-27-29(2,3)22-10-6-7-11-23(22)30(27)4/h6-19H,1-5H3/q+1