2-[4,6-bis(azanyl)-3-cyano-pyridin-1-ium-2-yl]sulfanyl-N-(3-phenylsulfanylpropyl)ethanamide

Systemtic Name: 2-[4,6-bis(azanyl)-3-cyano-pyridin-1-ium-2-yl]sulfanyl-N-(3-phenylsulfanylpropyl)ethanamide Openeye Name: 2-(4,6-diamino-3-cyano-pyridin-1-ium-2-yl)sulfanyl-N-(3-phenylsulfanylpropyl)acetamide CAS Name: 2-[(4,6-diamino-3-cyano-2-pyridin-1-iumyl)thio]-N-[3-(phenylthio)propyl]acetamide IUPAC Name: 2-(4,6-diamino-3-cyanopyridin-1-ium-2-yl)sulfanyl-N-(3-phenylsulfanylpropyl)acetamide Traditional Name: 2-[(4,6-diamino-3-cyano-pyridin-1-ium-2-yl)thio]-N-[3-(phenylthio)propyl]acetamide Formula: C17H20N5OS2+ MolecularWeight: 374.5036

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19N5OS2/c18-10-13-14(19)9-15(20)22-17(13)25-11-16(23)21-7-4-8-24-12-5-2-1-3-6-12/h1-3,5-6,9H,4,7-8,11H2,(H,21,23)(H4,19,20,22)/p+1