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

Systemtic Name: 1-(4-chlorophenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: 1-(4-chlorophenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone CAS Name: 1-(4-chlorophenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: 1-(4-chlorophenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: 1-(4-chlorophenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)thio]ethanone Formula: C21H22ClN3OS MolecularWeight: 399.93688

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C21H22ClN3OS/c1-2-14-25-20(13-8-16-6-4-3-5-7-16)23-24-21(25)27-15-19(26)17-9-11-18(22)12-10-17/h3-7,9-12H,2,8,13-15H2,1H3