S-azanyl N-[[(Z)-(1-methyl-3-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride

Systemtic Name: S-azanyl N-[[(Z)-(1-methyl-3-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride Openeye Name: S-amino N-[[(Z)-(1-methyl-3-oxo-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride CAS Name: N-[[(Z)-(1-methyl-3-oxo-2-pyridin-1-iumylidene)methyl]amino]carbamothioic acid S-amino ester chloride IUPAC Name: S-amino N-[[(Z)-(1-methyl-3-oxopyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride Traditional Name: N-[[(Z)-(3-keto-1-methyl-pyridin-1-ium-2-ylidene)methyl]amino]thiocarbamic acid S-amino ester chloride Formula: C8H11ClN4O2S MolecularWeight: 262.71654

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC=CC(=O)C1=CNNC(=O)SN.[Cl-]

Isomeric SMILES

C[N+]\1=CC=CC(=O)/C1=C/NNC(=O)SN.[Cl-]

InChI

InChI=1S/C8H10N4O2S.ClH/c1-12-4-2-3-7(13)6(12)5-10-11-8(14)15-9;/h2-5,13H,9H2,1H3;1H/b6-5-;