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

Systemtic Name: 1-(2-chlorophenyl)-2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-chlorophenyl)-2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-chlorophenyl)-2-[[5-(2-furanyl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-chlorophenyl)-2-[[5-(furan-2-yl)-4-(4-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-chlorophenyl)-2-[[5-(2-furyl)-4-(p-tolyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H16ClN3O2S MolecularWeight: 409.88864

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Cl)C4=CC=CO4

Isomeric SMILES

CC1=CC=C(C=C1)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Cl)C4=CC=CO4

InChI

InChI=1S/C21H16ClN3O2S/c1-14-8-10-15(11-9-14)25-20(19-7-4-12-27-19)23-24-21(25)28-13-18(26)16-5-2-3-6-17(16)22/h2-12H,13H2,1H3