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

Systemtic Name: 4-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Openeye Name: 4-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid CAS Name: 4-[[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid IUPAC Name: 4-[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]benzoic acid Traditional Name: 4-[[(5-phenyl-4-propyl-1,2,4-triazol-3-yl)thio]methyl]benzoic acid Formula: C19H19N3O2S MolecularWeight: 353.43806

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S/c1-2-12-22-17(15-6-4-3-5-7-15)20-21-19(22)25-13-14-8-10-16(11-9-14)18(23)24/h3-11H,2,12-13H2,1H3,(H,23,24)