5-[(E)-(aminocarbonylhydrazinylidene)methyl]-4-pyridin-1-ium-1-yl-1,3-thiazol-2-olate hydrate

Systemtic Name: 5-[(E)-(aminocarbonylhydrazinylidene)methyl]-4-pyridin-1-ium-1-yl-1,3-thiazol-2-olate hydrate Openeye Name: 5-[(E)-(carbamoylhydrazono)methyl]-4-pyridin-1-ium-1-yl-thiazol-2-olate hydrate CAS Name: 5-[(E)-(carbamoylhydrazinylidene)methyl]-4-(1-pyridin-1-iumyl)-2-thiazololate hydrate IUPAC Name: 5-[(E)-(carbamoylhydrazinylidene)methyl]-4-pyridin-1-ium-1-yl-1,3-thiazol-2-olate hydrate Traditional Name: 4-pyridin-1-ium-1-yl-5-[(E)-semicarbazonomethyl]thiazol-2-olate hydrate Formula: C10H11N5O3S MolecularWeight: 281.29104

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])C=NNC(=O)N.O

Isomeric SMILES

C1=CC=[N+](C=C1)C2=C(SC(=N2)[O-])/C=N/NC(=O)N.O

InChI

InChI=1S/C10H9N5O2S.H2O/c11-9(16)14-12-6-7-8(13-10(17)18-7)15-4-2-1-3-5-15;/h1-6H,(H3-,11,12,13,14,16,17);1H2