2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoic acid

Systemtic Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanoic acid Openeye Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid CAS Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid IUPAC Name: 2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)acetic acid Traditional Name: 2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)acetic acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)O

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)O

InChI

InChI=1S/C7H11N3O2S/c1-2-3-5-8-9-7(13)10(5)4-6(11)12/h2-4H2,1H3,(H,9,13)(H,11,12)