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

Systemtic Name: methyl 4-[[5-oxidanylidene-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Openeye Name: methyl 4-[[5-oxo-4-(tetrahydrofuran-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate CAS Name: 4-[[[5-oxo-4-(2-oxolanylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[5-oxo-4-(oxolan-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate Traditional Name: 4-[[[5-keto-4-(tetrahydrofurfuryl)-1H-1,2,4-triazol-3-yl]thio]methyl]benzoic acid methyl ester Formula: C16H19N3O4S MolecularWeight: 349.40476

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=O)N2CC3CCCO3

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)CSC2=NNC(=O)N2CC3CCCO3

InChI

InChI=1S/C16H19N3O4S/c1-22-14(20)12-6-4-11(5-7-12)10-24-16-18-17-15(21)19(16)9-13-3-2-8-23-13/h4-7,13H,2-3,8-10H2,1H3,(H,17,21)