6-azanyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile

Systemtic Name: 6-azanyl-2-[2-(2,3-dihydroindol-1-yl)-2-oxidanylidene-ethyl]sulfanyl-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile Openeye Name: 6-amino-2-(2-indolin-1-yl-2-oxo-ethyl)sulfanyl-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carbonitrile CAS Name: 6-amino-2-[[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]thio]-5-(4-phenyl-2-thiazolyl)-3-pyridin-1-iumcarbonitrile IUPAC Name: 6-amino-2-[2-(2,3-dihydroindol-1-yl)-2-oxoethyl]sulfanyl-5-(4-phenyl-1,3-thiazol-2-yl)pyridin-1-ium-3-carbonitrile Traditional Name: 6-amino-2-[(2-indolin-1-yl-2-keto-ethyl)thio]-5-(4-phenylthiazol-2-yl)pyridin-1-ium-3-carbonitrile Formula: C25H20N5OS2+ MolecularWeight: 470.5892

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(C2=CC=CC=C21)C(=O)CSC3=[NH+]C(=C(C=C3C#N)C4=NC(=CS4)C5=CC=CC=C5)N

Isomeric SMILES

C1CN(C2=CC=CC=C21)C(=O)CSC3=[NH+]C(=C(C=C3C#N)C4=NC(=CS4)C5=CC=CC=C5)N

InChI

InChI=1S/C25H19N5OS2/c26-13-18-12-19(25-28-20(14-32-25)16-6-2-1-3-7-16)23(27)29-24(18)33-15-22(31)30-11-10-17-8-4-5-9-21(17)30/h1-9,12,14H,10-11,15H2,(H2,27,29)/p+1