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

Systemtic Name: 2-(3-propoxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Openeye Name: 2-(3-propoxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one CAS Name: 2-(3-propoxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one IUPAC Name: 2-(3-propoxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Traditional Name: 2-(3-propoxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Formula: C18H16N3O2S+ MolecularWeight: 338.40354

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=CC(=C1)C2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

Isomeric SMILES

CCCOC1=CC=CC(=C1)C2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

InChI

InChI=1S/C18H15N3O2S/c1-2-10-23-13-7-5-6-12(11-13)16-20-21-17(22)14-8-3-4-9-15(14)19-18(21)24-16/h3-9,11H,2,10H2,1H3/p+1