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

Systemtic Name: S-phenylazanyl N-[[(Z)-(1-methyl-5-oxidanylidene-pyridin-1-ium-2-ylidene)methyl]amino]carbamothioate Openeye Name: S-anilino 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-anilino ester IUPAC Name: S-anilino 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-anilino ester Formula: C14H15N4O2S+ MolecularWeight: 303.3595

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Descriptors Computed from Structure

Canonical SMILES:

C[N+]1=CC(=O)C=CC1=CNNC(=O)SNC2=CC=CC=C2

Isomeric SMILES

C[N+]\1=CC(=O)C=C/C1=C/NNC(=O)SNC2=CC=CC=C2

InChI

InChI=1S/C14H14N4O2S/c1-18-10-13(19)8-7-12(18)9-15-16-14(20)21-17-11-5-3-2-4-6-11/h2-10,17,19H,1H3/p+1/b12-9-