2-(pyridin-4-ylmethylsulfanyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one

Systemtic Name: 2-(pyridin-4-ylmethylsulfanyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Openeye Name: 2-(4-pyridylmethylsulfanyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one CAS Name: 2-(pyridin-4-ylmethylthio)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one IUPAC Name: 2-(pyridin-4-ylmethylsulfanyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Traditional Name: 2-(4-pyridylmethylthio)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Formula: C15H11N4OS2+ MolecularWeight: 327.40404

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)[N+]3=C(N2)SC(=N3)SCC4=CC=NC=C4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)[N+]3=C(N2)SC(=N3)SCC4=CC=NC=C4

InChI

InChI=1S/C15H10N4OS2/c20-13-11-3-1-2-4-12(11)17-14-19(13)18-15(22-14)21-9-10-5-7-16-8-6-10/h1-8H,9H2/p+1