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

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

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

Isomeric SMILES

COC(=O)CSC1=NN=C(N1CC2=CC=CC=C2)C3=CC=CO3

InChI

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