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

Systemtic Name: methyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]ethanoate Openeye Name: methyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetate CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester IUPAC Name: methyl 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]acetate Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]acetic acid methyl ester Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SCC(=O)OC

Isomeric SMILES

CC1=NN=C(N1C)SCC(=O)OC

InChI

InChI=1S/C7H11N3O2S/c1-5-8-9-7(10(5)2)13-4-6(11)12-3/h4H2,1-3H3