N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbothioamide

Systemtic Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbothioamide Openeye Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanyl-benzenecarbothioamide CAS Name: N-tert-butyl-4-(4,6-dimethyl-2-pyrimidinyl)-2-mercaptobenzenecarbothioamide IUPAC Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-2-sulfanylbenzenecarbothioamide Traditional Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-thiobenzamide Formula: C17H21N3S2 MolecularWeight: 331.49874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H21N3S2/c1-10-8-11(2)19-15(18-10)12-6-7-13(14(21)9-12)16(22)20-17(3,4)5/h6-9,21H,1-5H3,(H,20,22)