4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbothioamide

Systemtic Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbothioamide Openeye Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbothioamide CAS Name: 4-(4,6-dimethyl-2-pyrimidinyl)-2-mercaptobenzenecarbothioamide IUPAC Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanylbenzenecarbothioamide Traditional Name: 4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-thiobenzamide Formula: C13H13N3S2 MolecularWeight: 275.39242

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=CC(=C(C=C2)C(=S)N)S)C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=CC(=C(C=C2)C(=S)N)S)C

InChI

InChI=1S/C13H13N3S2/c1-7-5-8(2)16-13(15-7)9-3-4-10(12(14)18)11(17)6-9/h3-6,17H,1-2H3,(H2,14,18)