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

Systemtic Name: S-azanyl N-[[(Z)-(1-methyl-5-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate Openeye Name: S-amino N-[[(Z)-(1-methyl-5-oxo-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate CAS Name: N-[[(Z)-(1-methyl-5-oxo-2-pyridin-1-iumylidene)methyl]amino]carbamothioic acid S-amino ester IUPAC Name: S-amino N-[[(Z)-(1-methyl-5-oxopyridin-1-ium-2-ylidene)methyl]amino]carbamothioate Traditional Name: N-[[(Z)-(5-keto-1-methyl-pyridin-1-ium-2-ylidene)methyl]amino]thiocarbamic acid S-amino ester Formula: C8H11N4O2S+ MolecularWeight: 227.26354

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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