S-azanyl N-[[(Z)-(1-methyl-5-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride

Systemtic Name: S-azanyl N-[[(Z)-(1-methyl-5-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride Openeye Name: S-amino N-[[(Z)-(1-methyl-5-oxo-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride CAS Name: N-[[(Z)-(1-methyl-5-oxo-2-pyridin-1-iumylidene)methyl]amino]carbamothioic acid S-amino ester chloride IUPAC Name: S-amino N-[[(Z)-(1-methyl-5-oxopyridin-1-ium-2-ylidene)methyl]amino]carbamothioate chloride Traditional Name: N-[[(Z)-(5-keto-1-methyl-pyridin-1-ium-2-ylidene)methyl]amino]thiocarbamic acid S-amino ester chloride Formula: C8H11ClN4O2S MolecularWeight: 262.71654

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=O)C=CC1=CNNC(=O)SN.[Cl-]

Isomeric SMILES

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

InChI

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