(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-2-phenyl-ethanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-2-phenyl-ethanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-2-phenyl-acetamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-cyclopropyl-2-phenylacetamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-cyclopropyl-2-phenylacetamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-cyclopropyl-2-phenyl-acetamide Formula: C18H16N5OS+ MolecularWeight: 350.41754

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1NC(=O)C(C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

Isomeric SMILES

C1CC1NC(=O)[C@@H](C2=CC=CC=C2)SC3=C(C=C(C(=[NH+]3)N)C#N)C#N

InChI

InChI=1S/C18H15N5OS/c19-9-12-8-13(10-20)18(23-16(12)21)25-15(11-4-2-1-3-5-11)17(24)22-14-6-7-14/h1-5,8,14-15H,6-7H2,(H2,21,23)(H,22,24)/p+1/t15-/m1/s1