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

Systemtic Name: 4-[2-[(4-azanyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(4-amino-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(4-amino-5-isopropyl-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C14H18N4O3S MolecularWeight: 322.38272

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)O

Isomeric SMILES

CC(C)C1=NN=C(N1N)SCCOC2=CC=C(C=C2)C(=O)O

InChI

InChI=1S/C14H18N4O3S/c1-9(2)12-16-17-14(18(12)15)22-8-7-21-11-5-3-10(4-6-11)13(19)20/h3-6,9H,7-8,15H2,1-2H3,(H,19,20)