2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid

Systemtic Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoic acid Openeye Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid CAS Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid IUPAC Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetic acid Traditional Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid Formula: C14H17N3O3S MolecularWeight: 307.36808

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2

Isomeric SMILES

COCCCN1C(=NN=C1SCC(=O)O)C2=CC=CC=C2

InChI

InChI=1S/C14H17N3O3S/c1-20-9-5-8-17-13(11-6-3-2-4-7-11)15-16-14(17)21-10-12(18)19/h2-4,6-7H,5,8-10H2,1H3,(H,18,19)