3-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid

Systemtic Name: 3-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 3-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 3-[[(4,5-diethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 3-[(4,5-diethyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 3-[[(4,5-diethyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C14H17N3O2S MolecularWeight: 291.36868

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NN=C(N1CC)SCC2=CC=CC(=C2)C(=O)O

Isomeric SMILES

CCC1=NN=C(N1CC)SCC2=CC=CC(=C2)C(=O)O

InChI

InChI=1S/C14H17N3O2S/c1-3-12-15-16-14(17(12)4-2)20-9-10-6-5-7-11(8-10)13(18)19/h5-8H,3-4,9H2,1-2H3,(H,18,19)