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

Systemtic Name: 4-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Openeye Name: 4-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid CAS Name: 4-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid IUPAC Name: 4-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethoxy]benzoic acid Traditional Name: 4-[2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]ethoxy]benzoic acid Formula: C14H15N3O3S MolecularWeight: 305.3522

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2)SCCOC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CC1C2=NC(=NN2)SCCOC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C14H15N3O3S/c18-13(19)10-3-5-11(6-4-10)20-7-8-21-14-15-12(16-17-14)9-1-2-9/h3-6,9H,1-2,7-8H2,(H,18,19)(H,15,16,17)