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

Systemtic Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole Openeye Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole CAS Name: 2-[[(4,6-dimethyl-2-pyrimidinyl)thio]methyl]-1,3-benzothiazole IUPAC Name: 2-[(4,6-dimethylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole Traditional Name: 2-[[(4,6-dimethylpyrimidin-2-yl)thio]methyl]-1,3-benzothiazole Formula: C14H13N3S2 MolecularWeight: 287.40312

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3S2)C

Isomeric SMILES

CC1=CC(=NC(=N1)SCC2=NC3=CC=CC=C3S2)C

InChI

InChI=1S/C14H13N3S2/c1-9-7-10(2)16-14(15-9)18-8-13-17-11-5-3-4-6-12(11)19-13/h3-7H,8H2,1-2H3