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

Systemtic Name: 3-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Openeye Name: 3-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate CAS Name: 3-[[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoate IUPAC Name: 3-[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoate Traditional Name: 3-[[(4-ethyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoate Formula: C15H18N3O2S- MolecularWeight: 304.38732

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1CC)SCC2=CC=CC(=C2)C(=O)[O-]

Isomeric SMILES

CCCC1=NN=C(N1CC)SCC2=CC=CC(=C2)C(=O)[O-]

InChI

InChI=1S/C15H19N3O2S/c1-3-6-13-16-17-15(18(13)4-2)21-10-11-7-5-8-12(9-11)14(19)20/h5,7-9H,3-4,6,10H2,1-2H3,(H,19,20)/p-1