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

Systemtic Name: 2-(4-propan-2-yloxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Openeye Name: 2-(4-isopropoxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one CAS Name: 2-(4-propan-2-yloxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one IUPAC Name: 2-(4-propan-2-yloxyphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Traditional Name: 2-(4-isopropoxyphenyl)-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:

CC(C)OC1=CC=C(C=C1)C2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

Isomeric SMILES

CC(C)OC1=CC=C(C=C1)C2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

InChI

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