2-(4-azanyl-5-cyano-pyrimidin-1-ium-2-yl)sulfanyl-N-(2-chlorophenyl)ethanamide

Systemtic Name: 2-(4-azanyl-5-cyano-pyrimidin-1-ium-2-yl)sulfanyl-N-(2-chlorophenyl)ethanamide Openeye Name: 2-(4-amino-5-cyano-pyrimidin-1-ium-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide CAS Name: 2-[(4-amino-5-cyano-2-pyrimidin-1-iumyl)thio]-N-(2-chlorophenyl)acetamide IUPAC Name: 2-(4-amino-5-cyanopyrimidin-1-ium-2-yl)sulfanyl-N-(2-chlorophenyl)acetamide Traditional Name: 2-[(4-amino-5-cyano-pyrimidin-1-ium-2-yl)thio]-N-(2-chlorophenyl)acetamide Formula: C13H11ClN5OS+ MolecularWeight: 320.77734

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H10ClN5OS/c14-9-3-1-2-4-10(9)18-11(20)7-21-13-17-6-8(5-15)12(16)19-13/h1-4,6H,7H2,(H,18,20)(H2,16,17,19)/p+1