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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O

Isomeric SMILES

CCCCOC1=CC=CC=C1C2=NC(=NN2)SCC(=O)O

InChI

InChI=1S/C14H17N3O3S/c1-2-3-8-20-11-7-5-4-6-10(11)13-15-14(17-16-13)21-9-12(18)19/h4-7H,2-3,8-9H2,1H3,(H,18,19)(H,15,16,17)