N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-3-nitro-2-sulfanyl-benzamide

Systemtic Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-3-nitro-2-sulfanyl-benzamide Openeye Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-3-nitro-2-sulfanyl-benzamide CAS Name: N-tert-butyl-4-(4,6-dimethyl-2-pyrimidinyl)-2-mercapto-3-nitrobenzamide IUPAC Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-3-nitro-2-sulfanylbenzamide Traditional Name: N-tert-butyl-4-(4,6-dimethylpyrimidin-2-yl)-2-mercapto-3-nitro-benzamide Formula: C17H20N4O3S MolecularWeight: 360.4307

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NC(=N1)C2=C(C(=C(C=C2)C(=O)NC(C)(C)C)S)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=NC(=N1)C2=C(C(=C(C=C2)C(=O)NC(C)(C)C)S)[N+](=O)[O-])C

InChI

InChI=1S/C17H20N4O3S/c1-9-8-10(2)19-15(18-9)11-6-7-12(14(25)13(11)21(23)24)16(22)20-17(3,4)5/h6-8,25H,1-5H3,(H,20,22)