methyl 4-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate

Systemtic Name: methyl 4-[[4-(3-methoxypropyl)-5-oxidanylidene-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(3-methoxypropyl)-5-oxo-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-keto-4-(3-methoxypropyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C15H19N3O4S MolecularWeight: 337.39406

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Descriptors Computed from Structure

Canonical SMILES:

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)OC

Isomeric SMILES

COCCCN1C(=O)NN=C1SCC2=CC=C(C=C2)C(=O)OC

InChI

InChI=1S/C15H19N3O4S/c1-21-9-3-8-18-14(20)16-17-15(18)23-10-11-4-6-12(7-5-11)13(19)22-2/h4-7H,3,8-10H2,1-2H3,(H,16,20)