2-methyl-5-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)pentanoic acid

Systemtic Name: 2-methyl-5-(5-sulfanylidene-1,2-dihydro-1,2,3-triazol-4-yl)pentanoic acid Openeye Name: 2-methyl-5-(5-thioxo-1,2-dihydrotriazol-4-yl)pentanoic acid CAS Name: 2-methyl-5-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)pentanoic acid IUPAC Name: 2-methyl-5-(5-sulfanylidene-1,2-dihydrotriazol-4-yl)pentanoic acid Traditional Name: 2-methyl-5-(5-thioxo-1,2-dihydrotriazol-4-yl)valeric acid Formula: C8H13N3O2S MolecularWeight: 215.27272

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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCC1=NNNC1=S)C(=O)O

Isomeric SMILES

CC(CCCC1=NNNC1=S)C(=O)O

InChI

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