2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]ethanoic acid

Systemtic Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]ethanoic acid Openeye Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]acetic acid CAS Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]acetic acid IUPAC Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylsulfanyl]acetic acid Traditional Name: 2-[(4,5-dimethyl-1,2,4-triazol-3-yl)methylthio]acetic acid Formula: C7H11N3O2S MolecularWeight: 201.24614

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)CSCC(=O)O

Isomeric SMILES

CC1=NN=C(N1C)CSCC(=O)O

InChI

InChI=1S/C7H11N3O2S/c1-5-8-9-6(10(5)2)3-13-4-7(11)12/h3-4H2,1-2H3,(H,11,12)