azanium (2E)-2-diazanylidene-3-methyl-1,3-benzothiazole-6-carboxylate hydrate

Systemtic Name: azanium (2E)-2-diazanylidene-3-methyl-1,3-benzothiazole-6-carboxylate hydrate Openeye Name: ammonium (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-6-carboxylate hydrate CAS Name: ammonium (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-6-carboxylate hydrate IUPAC Name: azanium (2E)-2-hydrazinylidene-3-methyl-1,3-benzothiazole-6-carboxylate hydrate Traditional Name: ammonium (2E)-2-hydrazono-3-methyl-1,3-benzothiazole-6-carboxylate hydrate Formula: C9H14N4O3S MolecularWeight: 258.29746

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Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C=C(C=C2)C(=O)[O-])SC1=NN.[NH4+].O

Isomeric SMILES

CN\1C2=C(C=C(C=C2)C(=O)[O-])S/C1=N/N.[NH4+].O

InChI

InChI=1S/C9H9N3O2S.H3N.H2O/c1-12-6-3-2-5(8(13)14)4-7(6)15-9(12)11-10;;/h2-4H,10H2,1H3,(H,13,14);1H3;1H2/b11-9+;;