2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfonyl]-1,3-benzothiazole

Systemtic Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfonyl]-1,3-benzothiazole Openeye Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfonyl]-1,3-benzothiazole CAS Name: 2-[2-[(4,6-dimethyl-2-pyrimidinyl)thio]ethylsulfonyl]-1,3-benzothiazole IUPAC Name: 2-[2-(4,6-dimethylpyrimidin-2-yl)sulfanylethylsulfonyl]-1,3-benzothiazole Traditional Name: 2-[2-[(4,6-dimethylpyrimidin-2-yl)thio]ethylsulfonyl]-1,3-benzothiazole Formula: C15H15N3O2S3 MolecularWeight: 365.4935

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCCS(=O)(=O)C2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCCS(=O)(=O)C2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C15H15N3O2S3/c1-10-9-11(2)17-14(16-10)21-7-8-23(19,20)15-18-12-5-3-4-6-13(12)22-15/h3-6,9H,7-8H2,1-2H3