1-[(4-nitrophenyl)amino]-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenethiol

Systemtic Name: 1-[(4-nitrophenyl)amino]-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenethiol Openeye Name: 1-(4-nitroanilino)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenethiol CAS Name: 1-(4-nitroanilino)-2-(1,3,3-trimethyl-2-indol-1-iumyl)ethenethiol IUPAC Name: 1-(4-nitroanilino)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenethiol Traditional Name: 1-(4-nitroanilino)-2-(1,3,3-trimethylindol-1-ium-2-yl)ethenethiol Formula: C19H20N3O2S+ MolecularWeight: 354.446

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=CC=CC=C2[N+](=C1C=C(NC3=CC=C(C=C3)[N+](=O)[O-])S)C)C

Isomeric SMILES

CC1(C2=CC=CC=C2[N+](=C1C=C(NC3=CC=C(C=C3)[N+](=O)[O-])S)C)C

InChI

InChI=1S/C19H19N3O2S/c1-19(2)15-6-4-5-7-16(15)21(3)17(19)12-18(25)20-13-8-10-14(11-9-13)22(23)24/h4-12H,1-3H3,(H,20,25)/p+1