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

Systemtic Name: 2-(phenoxymethyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Openeye Name: 2-(phenoxymethyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one CAS Name: 2-(phenoxymethyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one IUPAC Name: 2-(phenoxymethyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Traditional Name: 2-(phenoxymethyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Formula: C16H12N3O2S+ MolecularWeight: 310.35038

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)OCC2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

Isomeric SMILES

C1=CC=C(C=C1)OCC2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

InChI

InChI=1S/C16H11N3O2S/c20-15-12-8-4-5-9-13(12)17-16-19(15)18-14(22-16)10-21-11-6-2-1-3-7-11/h1-9H,10H2/p+1