(2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide

Systemtic Name: (2R)-2-(6-azanyl-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-[(phenylmethyl)carbamoyl]propanamide Openeye Name: (2R)-2-(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)sulfanyl-N-(benzylcarbamoyl)propanamide CAS Name: (2R)-2-[(6-amino-3,5-dicyano-2-pyridin-1-iumyl)thio]-N-[oxo-[(phenylmethyl)amino]methyl]propanamide IUPAC Name: (2R)-2-(6-amino-3,5-dicyanopyridin-1-ium-2-yl)sulfanyl-N-(benzylcarbamoyl)propanamide Traditional Name: (2R)-2-[(6-amino-3,5-dicyano-pyridin-1-ium-2-yl)thio]-N-(benzylcarbamoyl)propionamide Formula: C18H17N6O2S+ MolecularWeight: 381.43158

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC(=O)NCC1=CC=CC=C1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

Isomeric SMILES

C[C@H](C(=O)NC(=O)NCC1=CC=CC=C1)SC2=C(C=C(C(=[NH+]2)N)C#N)C#N

InChI

InChI=1S/C18H16N6O2S/c1-11(27-17-14(9-20)7-13(8-19)15(21)23-17)16(25)24-18(26)22-10-12-5-3-2-4-6-12/h2-7,11H,10H2,1H3,(H2,21,23)(H2,22,24,25,26)/p+1/t11-/m1/s1