2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide

Systemtic Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethylacetamide IUPAC Name: 2-[[5-[(4-chlorophenyl)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-phenethylacetamide Traditional Name: 2-[[5-(4-chlorobenzyl)-4-methyl-1,2,4-triazol-3-yl]thio]-N-phenethyl-acetamide Formula: C20H21ClN4OS MolecularWeight: 400.92494

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NCCC2=CC=CC=C2)CC3=CC=C(C=C3)Cl

InChI

InChI=1S/C20H21ClN4OS/c1-25-18(13-16-7-9-17(21)10-8-16)23-24-20(25)27-14-19(26)22-12-11-15-5-3-2-4-6-15/h2-10H,11-14H2,1H3,(H,22,26)