1-(2-chlorophenyl)-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone

Systemtic Name: 1-(2-chlorophenyl)-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(2-chlorophenyl)-2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(2-chlorophenyl)-2-[[4-(2,6-diethylphenyl)-5-(3-pyridinyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(2-chlorophenyl)-2-[[4-(2,6-diethylphenyl)-5-pyridin-3-yl-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(2-chlorophenyl)-2-[[4-(2,6-diethylphenyl)-5-(3-pyridyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C25H23ClN4OS MolecularWeight: 462.99432

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Cl)C4=CN=CC=C4

Isomeric SMILES

CCC1=C(C(=CC=C1)CC)N2C(=NN=C2SCC(=O)C3=CC=CC=C3Cl)C4=CN=CC=C4

InChI

InChI=1S/C25H23ClN4OS/c1-3-17-9-7-10-18(4-2)23(17)30-24(19-11-8-14-27-15-19)28-29-25(30)32-16-22(31)20-12-5-6-13-21(20)26/h5-15H,3-4,16H2,1-2H3