1-(4-chlorophenyl)-2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(4-chlorophenyl)-2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[[5-(2-furanyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[[5-(furan-2-yl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[[5-(2-furyl)-4-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H16ClN3O3S MolecularWeight: 425.88804

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CO4

Isomeric SMILES

COC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=C(C=C3)Cl)C4=CC=CO4

InChI

InChI=1S/C21H16ClN3O3S/c1-27-17-10-8-16(9-11-17)25-20(19-3-2-12-28-19)23-24-21(25)29-13-18(26)14-4-6-15(22)7-5-14/h2-12H,13H2,1H3