3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole-2-thione

Systemtic Name: 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole-2-thione Openeye Name: 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole-2-thione CAS Name: 3-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1,3-benzothiazole-2-thione IUPAC Name: 3-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1,3-benzothiazole-2-thione Traditional Name: 3-[[(4-methylpyrimidin-2-yl)thio]methyl]-1,3-benzothiazole-2-thione Formula: C13H11N3S3 MolecularWeight: 305.44154

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCN2C3=CC=CC=C3SC2=S

Isomeric SMILES

CC1=NC(=NC=C1)SCN2C3=CC=CC=C3SC2=S

InChI

InChI=1S/C13H11N3S3/c1-9-6-7-14-12(15-9)18-8-16-10-4-2-3-5-11(10)19-13(16)17/h2-7H,8H2,1H3