2-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(1-methyl-5-phenyl-imidazol-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(1-methyl-5-phenyl-2-imidazolyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(1-methyl-5-phenylimidazol-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(1-methyl-5-phenyl-imidazol-2-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C19H17N3O3S2 MolecularWeight: 399.48658

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

Isomeric SMILES

CN1C(=CN=C1SCCN2C(=O)C3=CC=CC=C3S2(=O)=O)C4=CC=CC=C4

InChI

InChI=1S/C19H17N3O3S2/c1-21-16(14-7-3-2-4-8-14)13-20-19(21)26-12-11-22-18(23)15-9-5-6-10-17(15)27(22,24)25/h2-10,13H,11-12H2,1H3