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

Systemtic Name: 2-(4-tert-butylphenyl)carbonyl-3-methyl-10H-[1,3]thiazolo[2,3-b]quinazolin-4-ium-5-one Openeye Name: 2-(4-tert-butylbenzoyl)-3-methyl-10H-thiazolo[2,3-b]quinazolin-4-ium-5-one CAS Name: 2-[(4-tert-butylphenyl)-oxomethyl]-3-methyl-10H-thiazolo[2,3-b]quinazolin-4-ium-5-one IUPAC Name: 2-(4-tert-butylbenzoyl)-3-methyl-10H-[1,3]thiazolo[2,3-b]quinazolin-4-ium-5-one Traditional Name: 2-(4-tert-butylbenzoyl)-3-methyl-10H-thiazolo[2,3-b]quinazolin-4-ium-5-one Formula: C22H21N2O2S+ MolecularWeight: 377.47934

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC2=[N+]1C(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=C(SC2=[N+]1C(=O)C3=CC=CC=C3N2)C(=O)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C22H20N2O2S/c1-13-19(18(25)14-9-11-15(12-10-14)22(2,3)4)27-21-23-17-8-6-5-7-16(17)20(26)24(13)21/h5-12H,1-4H3/p+1