azanide; 4-(2H-pyridin-1-id-4-ylsulfanylmethyl)benzoic acid; zinc; dihydrate

Systemtic Name: azanide; 4-(2H-pyridin-1-id-4-ylsulfanylmethyl)benzoic acid; zinc; dihydrate Openeye Name: azanide; 4-(2H-pyridin-1-id-4-ylsulfanylmethyl)benzoic acid; zinc; dihydrate CAS Name: azanide; 4-[(2H-pyridin-1-id-4-ylthio)methyl]benzoic acid; zinc; dihydrate IUPAC Name: azanide; 4-(2H-pyridin-1-id-4-ylsulfanylmethyl)benzoic acid; zinc; dihydrate Traditional Name: azanide; 4-[(2H-pyridin-1-id-4-ylthio)methyl]benzoic acid; zinc; dihydrate Formula: C13H18N2O4SZn3-2 MolecularWeight: 494.58502

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Descriptors Computed from Structure

Canonical SMILES:

C1C=C(C=C[N-]1)SCC2=CC=C(C=C2)C(=O)O.[NH2-].O.O.[Zn].[Zn].[Zn]

Isomeric SMILES

C1C=C(C=C[N-]1)SCC2=CC=C(C=C2)C(=O)O.[NH2-].O.O.[Zn].[Zn].[Zn]

InChI

InChI=1S/C13H12NO2S.H2N.2H2O.3Zn/c15-13(16)11-3-1-10(2-4-11)9-17-12-5-7-14-8-6-12;;;;;;/h1-7H,8-9H2,(H,15,16);3*1H2;;;/q2*-1;;;;;