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13-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)tetradecanoic acid

13-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)tetradecanoic acid

Systemtic Name:13-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)tetradecanoic acid
Openeye Name:13-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)tetradecanoic acid
CAS Name:13-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)tetradecanoic acid
IUPAC Name:13-(4-methyl-5-sulfanylidene-1H-1,2,4-triazol-3-yl)tetradecanoic acid
Traditional Name:13-(4-methyl-5-thioxo-1H-1,2,4-triazol-3-yl)myristic acid
Formula: C17H31N3O2S
MolecularWeight: 341.51194
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Descriptors Computed from Structure

Canonical SMILES:

CC(CCCCCCCCCCCC(=O)O)C1=NNC(=S)N1C


Isomeric SMILES

CC(CCCCCCCCCCCC(=O)O)C1=NNC(=S)N1C


InChI

InChI=1S/C17H31N3O2S/c1-14(16-18-19-17(23)20(16)2)12-10-8-6-4-3-5-7-9-11-13-15(21)22/h14H,3-13H2,1-2H3,(H,19,23)(H,21,22)


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