4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a][1,8]naphthyridin-12-ium-6-carbonitrile

Systemtic Name: 4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a][1,8]naphthyridin-12-ium-6-carbonitrile Openeye Name: 4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanyl-benzimidazolo[1,2-a][1,8]naphthyridin-12-ium-6-carbonitrile CAS Name: 4-methylbenzenesulfonic acid; 7-methyl-5-(methylthio)-6-benzimidazolo[1,2-a][1,8]naphthyridin-12-iumcarbonitrile IUPAC Name: 4-methylbenzenesulfonic acid; 7-methyl-5-methylsulfanylbenzimidazolo[1,2-a][1,8]naphthyridin-12-ium-6-carbonitrile Traditional Name: 7-methyl-5-(methylthio)benzimidazolo[1,2-a][1,8]naphthyridin-12-ium-6-carbonitrile; tosylic acid Formula: C24H21N4O3S2+ MolecularWeight: 477.57854

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=C3N=CC=C4)SC)C#N

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CN1C2=CC=CC=C2[N+]3=C1C(=C(C4=C3N=CC=C4)SC)C#N

InChI

InChI=1S/C17H13N4S.C7H8O3S/c1-20-13-7-3-4-8-14(13)21-16-11(6-5-9-19-16)15(22-2)12(10-18)17(20)21;1-6-2-4-7(5-3-6)11(8,9)10/h3-9H,1-2H3;2-5H,1H3,(H,8,9,10)/q+1;