2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one

Systemtic Name: 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,1-bis(oxidanylidene)-1,2-benzothiazol-3-one Openeye Name: 2-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one CAS Name: 2-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]ethyl]-1,1-dioxo-1,2-benzothiazol-3-one IUPAC Name: 2-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylethyl]-1,1-dioxo-1,2-benzothiazol-3-one Traditional Name: 1,1-diketo-2-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]ethyl]-1,2-benzothiazol-3-one Formula: C20H17N3O3S2 MolecularWeight: 411.49728

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCCN3C(=O)C4=CC=CC=C4S3(=O)=O

InChI

InChI=1S/C20H17N3O3S2/c1-14-13-17(15-7-3-2-4-8-15)22-20(21-14)27-12-11-23-19(24)16-9-5-6-10-18(16)28(23,25)26/h2-10,13H,11-12H2,1H3