2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(2-methyl-4-quinazolinyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(2-methylquinazolin-4-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(2-methylquinazolin-4-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C18H15N3O3S2 MolecularWeight: 385.46

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=CC=CC=C2C(=N1)SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=NC2=CC=CC=C2C(=N1)SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C18H15N3O3S2/c1-12-19-15-8-4-2-6-13(15)17(20-12)25-11-10-21-18(22)14-7-3-5-9-16(14)26(21,23)24/h2-9H,10-11H2,1H3