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

Systemtic Name: 2-(4-tert-butylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Openeye Name: 2-(4-tert-butylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one CAS Name: 2-(4-tert-butylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one IUPAC Name: 2-(4-tert-butylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Traditional Name: 2-(4-tert-butylphenyl)-10H-[1,3,4]thiadiazolo[2,3-b]quinazolin-4-ium-5-one Formula: C19H18N3OS+ MolecularWeight: 336.43072

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3OS/c1-19(2,3)13-10-8-12(9-11-13)16-21-22-17(23)14-6-4-5-7-15(14)20-18(22)24-16/h4-11H,1-3H3/p+1