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S-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyridin-1-ium-3-yl] benzenecarbothioate

S-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyridin-1-ium-3-yl] benzenecarbothioate

Systemtic Name:S-[1-[2-[1,3-bis(oxidanylidene)isoindol-2-yl]ethyl]pyridin-1-ium-3-yl] benzenecarbothioate
Openeye Name:S-[1-[2-(1,3-dioxoisoindolin-2-yl)ethyl]pyridin-1-ium-3-yl] benzenecarbothioate
CAS Name:benzenecarbothioic acid S-[1-[2-(1,3-dioxo-2-isoindolyl)ethyl]-3-pyridin-1-iumyl] ester
IUPAC Name:S-[1-[2-(1,3-dioxoisoindol-2-yl)ethyl]pyridin-1-ium-3-yl] benzenecarbothioate
Traditional Name:thiobenzoic acid S-[1-(2-phthalimidoethyl)pyridin-1-ium-3-yl] ester
Formula: C22H17N2O3S+
MolecularWeight: 389.44698
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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)SC2=C[N+](=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O


Isomeric SMILES

C1=CC=C(C=C1)C(=O)SC2=C[N+](=CC=C2)CCN3C(=O)C4=CC=CC=C4C3=O


InChI

InChI=1S/C22H17N2O3S/c25-20-18-10-4-5-11-19(18)21(26)24(20)14-13-23-12-6-9-17(15-23)28-22(27)16-7-2-1-3-8-16/h1-12,15H,13-14H2/q+1


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