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

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-chlorophenyl)methyl]acetamide CAS Name: N-[(4-chlorophenyl)methyl]-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-[(5-phenethyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: 2-[(4-allyl-5-phenethyl-1,2,4-triazol-3-yl)thio]-N-(4-chlorobenzyl)acetamide Formula: C22H23ClN4OS MolecularWeight: 426.96222

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC(=O)NCC2=CC=C(C=C2)Cl)CCC3=CC=CC=C3

InChI

InChI=1S/C22H23ClN4OS/c1-2-14-27-20(13-10-17-6-4-3-5-7-17)25-26-22(27)29-16-21(28)24-15-18-8-11-19(23)12-9-18/h2-9,11-12H,1,10,13-16H2,(H,24,28)