4-[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid

Systemtic Name: 4-[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-methyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(5-isopropyl-4-methyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1C)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1C)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C15H19N3O3S/c1-10(2)13-16-17-15(18(13)3)22-9-8-21-12-6-4-11(5-7-12)14(19)20/h4-7,10H,8-9H2,1-3H3,(H,19,20)