2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-chloranyl-3-nitro-phenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-chloranyl-3-nitro-phenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-2-yl)sulfanyl-N-(4-chloro-3-nitro-phenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidinyl)thio]-N-(4-chloro-3-nitrophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-2-yl)sulfanyl-N-(4-chloro-3-nitrophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-2-yl)thio]-N-(4-chloro-3-nitro-phenyl)acetamide Formula: C13H9ClN6O3S MolecularWeight: 364.76696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC(=C(C=C1NC(=O)CSC2=NC=C(C(=N2)N)C#N)[N+](=O)[O-])Cl

InChI

InChI=1S/C13H9ClN6O3S/c14-9-2-1-8(3-10(9)20(22)23)18-11(21)6-24-13-17-5-7(4-15)12(16)19-13/h1-3,5H,6H2,(H,18,21)(H2,16,17,19)