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

Systemtic Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C15H19N3O2S MolecularWeight: 305.39526

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19N3O2S/c1-3-5-13-16-17-15(18(13)4-2)21-10-11-6-8-12(9-7-11)14(19)20/h6-9H,3-5,10H2,1-2H3,(H,19,20)