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

Systemtic Name: 1-(4-chlorophenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[(4-ethyl-5-phenethyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C20H20ClN3OS MolecularWeight: 385.9103

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C20H20ClN3OS/c1-2-24-19(13-8-15-6-4-3-5-7-15)22-23-20(24)26-14-18(25)16-9-11-17(21)12-10-16/h3-7,9-12H,2,8,13-14H2,1H3