S-[5-(2-pyridin-2-ylsulfanylethanoylamino)naphthalen-1-yl] 2-(pyridin-1-ium-2-ylamino)ethanethioate

Systemtic Name: S-[5-(2-pyridin-2-ylsulfanylethanoylamino)naphthalen-1-yl] 2-(pyridin-1-ium-2-ylamino)ethanethioate Openeye Name: S-[5-[[2-(2-pyridylsulfanyl)acetyl]amino]-1-naphthyl] 2-(pyridin-1-ium-2-ylamino)ethanethioate CAS Name: 2-(2-pyridin-1-iumylamino)ethanethioic acid S-[5-[[1-oxo-2-(2-pyridinylthio)ethyl]amino]-1-naphthalenyl] ester IUPAC Name: S-[5-[(2-pyridin-2-ylsulfanylacetyl)amino]naphthalen-1-yl] 2-(pyridin-1-ium-2-ylamino)ethanethioate Traditional Name: 2-(pyridin-1-ium-2-ylamino)ethanethioic acid S-[5-[[2-(2-pyridylthio)acetyl]amino]-1-naphthyl] ester Formula: C24H21N4O2S2+ MolecularWeight: 461.57914

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[NH+]C(=C1)NCC(=O)SC2=CC=CC3=C2C=CC=C3NC(=O)CSC4=CC=CC=N4

Isomeric SMILES

C1=CC=[NH+]C(=C1)NCC(=O)SC2=CC=CC3=C2C=CC=C3NC(=O)CSC4=CC=CC=N4

InChI

InChI=1S/C24H20N4O2S2/c29-22(16-31-23-12-2-4-14-26-23)28-19-9-5-8-18-17(19)7-6-10-20(18)32-24(30)15-27-21-11-1-3-13-25-21/h1-14H,15-16H2,(H,25,27)(H,28,29)/p+1