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

Systemtic Name: 3-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Openeye Name: 3-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate CAS Name: 3-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propanoate IUPAC Name: 3-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]propanoate Traditional Name: 3-[[5-(4-butoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]propionate Formula: C15H18N3O3S- MolecularWeight: 320.38672

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=NC(=NN2)SCCC(=O)[O-]

InChI

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