2-chloranyl-N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-5-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-5-nitro-benzamide Openeye Name: 2-chloro-N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-5-nitro-benzamide CAS Name: 2-chloro-N-[3-[(4,6-dimethyl-2-pyrimidinyl)thio]propyl]-5-nitrobenzamide IUPAC Name: 2-chloro-N-[3-(4,6-dimethylpyrimidin-2-yl)sulfanylpropyl]-5-nitrobenzamide Traditional Name: 2-chloro-N-[3-[(4,6-dimethylpyrimidin-2-yl)thio]propyl]-5-nitro-benzamide Formula: C16H17ClN4O3S MolecularWeight: 380.84918

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H17ClN4O3S/c1-10-8-11(2)20-16(19-10)25-7-3-6-18-15(22)13-9-12(21(23)24)4-5-14(13)17/h4-5,8-9H,3,6-7H2,1-2H3,(H,18,22)