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

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

COC1=CC=C(C=C1)C2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2=N[N+]3=C(S2)NC4=CC=CC=C4C3=O

InChI

InChI=1S/C16H11N3O2S/c1-21-11-8-6-10(7-9-11)14-18-19-15(20)12-4-2-3-5-13(12)17-16(19)22-14/h2-9H,1H3/p+1