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

Systemtic Name: methyl 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: methyl 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester IUPAC Name: methyl 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-(3-methoxypropyl)-5-phenyl-1,2,4-triazol-3-yl]thio]acetic acid methyl ester Formula: C15H19N3O3S MolecularWeight: 321.39466

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H19N3O3S/c1-20-10-6-9-18-14(12-7-4-3-5-8-12)16-17-15(18)22-11-13(19)21-2/h3-5,7-8H,6,9-11H2,1-2H3