2-azanyl-6-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile

Systemtic Name: 2-azanyl-6-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxidanylidene-propan-2-yl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile Openeye Name: 2-amino-6-[(1R)-2-indolin-1-yl-1-methyl-2-oxo-ethyl]sulfanyl-pyridin-1-ium-3,5-dicarbonitrile CAS Name: 2-amino-6-[[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]thio]pyridin-1-ium-3,5-dicarbonitrile IUPAC Name: 2-amino-6-[(2R)-1-(2,3-dihydroindol-1-yl)-1-oxopropan-2-yl]sulfanylpyridin-1-ium-3,5-dicarbonitrile Traditional Name: 2-amino-6-[[(1R)-2-indolin-1-yl-2-keto-1-methyl-ethyl]thio]pyridin-1-ium-3,5-dicarbonitrile Formula: C18H16N5OS+ MolecularWeight: 350.41754

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCC2=CC=CC=C21)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)N1CCC2=CC=CC=C21)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C18H15N5OS/c1-11(18(24)23-7-6-12-4-2-3-5-15(12)23)25-17-14(10-20)8-13(9-19)16(21)22-17/h2-5,8,11H,6-7H2,1H3,(H2,21,22)/p+1/t11-/m1/s1