methyl 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate

Systemtic Name: methyl 2-[(5-oxidanylidene-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(5-oxo-4-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(5-keto-4-propyl-1H-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C8H13N3O3S MolecularWeight: 231.27212

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)NN=C1SCC(=O)OC

Isomeric SMILES

CCCN1C(=O)NN=C1SCC(=O)OC

InChI

InChI=1S/C8H13N3O3S/c1-3-4-11-7(13)9-10-8(11)15-5-6(12)14-2/h3-5H2,1-2H3,(H,9,13)