2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]butanoate

Systemtic Name: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]butanoate Openeye Name: 2-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]butanoate CAS Name: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]butanoate IUPAC Name: 2-[(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)methyl]butanoate Traditional Name: 2-[(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)methyl]butyrate Formula: C8H12N3O2S- MolecularWeight: 214.26478

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC1=NNC(=S)N1C)C(=O)[O-]

Isomeric SMILES

CCC(CC1=NNC(=S)N1C)C(=O)[O-]

InChI

InChI=1S/C8H13N3O2S/c1-3-5(7(12)13)4-6-9-10-8(14)11(6)2/h5H,3-4H2,1-2H3,(H,10,14)(H,12,13)/p-1