azanyl 5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-methanoyl-2-(1-sulfanylidene-1,2,4-triazol-1-ium-3-yl)pentanoate

Systemtic Name: azanyl 5-(4-ethanoyl-3-oxidanyl-2-propyl-phenoxy)-2-methanoyl-2-(1-sulfanylidene-1,2,4-triazol-1-ium-3-yl)pentanoate Openeye Name: amino 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-formyl-2-(1-thioxo-1,2,4-triazol-1-ium-3-yl)pentanoate CAS Name: 5-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-formyl-2-(1-sulfanylidene-1,2,4-triazol-1-ium-3-yl)pentanoic acid amino ester IUPAC Name: amino 5-(4-acetyl-3-hydroxy-2-propylphenoxy)-2-formyl-2-(1-sulfanylidene-1,2,4-triazol-1-ium-3-yl)pentanoate Traditional Name: 5-(4-acetyl-3-hydroxy-2-propyl-phenoxy)-2-formyl-2-(1-thioxo-1,2,4-triazol-1-ium-3-yl)valeric acid amino ester Formula: C19H23N4O6S+ MolecularWeight: 435.47412

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(C=O)(C2=N[N+](=S)C=N2)C(=O)ON

Isomeric SMILES

CCCC1=C(C=CC(=C1O)C(=O)C)OCCCC(C=O)(C2=N[N+](=S)C=N2)C(=O)ON

InChI

InChI=1S/C19H22N4O6S/c1-3-5-14-15(7-6-13(12(2)25)16(14)26)28-9-4-8-19(10-24,18(27)29-20)17-21-11-23(30)22-17/h6-7,10-11H,3-5,8-9,20H2,1-2H3/p+1