naphthalen-1-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate

Systemtic Name: naphthalen-1-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: 1-naphthylmethyl 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[4-ethyl-5-(2-furanyl)-1,2,4-triazol-3-yl]thio]acetic acid 1-naphthalenylmethyl ester IUPAC Name: naphthalen-1-ylmethyl 2-[[4-ethyl-5-(furan-2-yl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[4-ethyl-5-(2-furyl)-1,2,4-triazol-3-yl]thio]acetic acid 1-naphthylmethyl ester Formula: C21H19N3O3S MolecularWeight: 393.45886

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC3=CC=CC=C32)C4=CC=CO4

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)OCC2=CC=CC3=CC=CC=C32)C4=CC=CO4

InChI

InChI=1S/C21H19N3O3S/c1-2-24-20(18-11-6-12-26-18)22-23-21(24)28-14-19(25)27-13-16-9-5-8-15-7-3-4-10-17(15)16/h3-12H,2,13-14H2,1H3