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

Systemtic Name: propan-2-yl 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanoate Openeye Name: isopropyl 2-[[5-(3-chlorophenyl)-4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate CAS Name: 2-[[5-(3-chlorophenyl)-4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]acetic acid propan-2-yl ester IUPAC Name: propan-2-yl 2-[[5-(3-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetate Traditional Name: 2-[[5-(3-chlorophenyl)-4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]acetic acid isopropyl ester Formula: C18H18ClN3O3S MolecularWeight: 391.87182

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)Cl

Isomeric SMILES

CC(C)OC(=O)CSC1=NN=C(N1CC2=CC=CO2)C3=CC(=CC=C3)Cl

InChI

InChI=1S/C18H18ClN3O3S/c1-12(2)25-16(23)11-26-18-21-20-17(13-5-3-6-14(19)9-13)22(18)10-15-7-4-8-24-15/h3-9,12H,10-11H2,1-2H3