2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate

Systemtic Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Openeye Name: 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate CAS Name: benzoic acid 2-[[5-(2-furanyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester IUPAC Name: 2-[[5-(furan-2-yl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]ethyl benzoate Traditional Name: benzoic acid 2-[[5-(2-furyl)-4-methyl-1,2,4-triazol-3-yl]thio]ethyl ester Formula: C16H15N3O3S MolecularWeight: 329.3736

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

CN1C(=NN=C1SCCOC(=O)C2=CC=CC=C2)C3=CC=CO3

InChI

InChI=1S/C16H15N3O3S/c1-19-14(13-8-5-9-21-13)17-18-16(19)23-11-10-22-15(20)12-6-3-2-4-7-12/h2-9H,10-11H2,1H3