2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(4-chlorophenyl)ethyl]ethanamide

Systemtic Name: 2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(4-chlorophenyl)ethyl]ethanamide Openeye Name: 2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide CAS Name: 2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide IUPAC Name: 2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide Traditional Name: 2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-[(1R)-1-(4-chlorophenyl)ethyl]acetamide Formula: C17H15ClN5OS+ MolecularWeight: 372.8519

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)Cl)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C1=CC=C(C=C1)Cl)NC(=O)CSC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C17H14ClN5OS/c1-10(11-2-4-14(18)5-3-11)22-15(24)9-25-17-13(8-20)6-12(7-19)16(21)23-17/h2-6,10H,9H2,1H3,(H2,21,23)(H,22,24)/p+1/t10-/m1/s1