N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide

Systemtic Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Openeye Name: N-[[4-allyl-5-[(4-chlorophenyl)methylsulfanyl]-1,2,4-triazol-3-yl]methyl]benzamide CAS Name: N-[[5-[(4-chlorophenyl)methylthio]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide IUPAC Name: N-[[5-[(4-chlorophenyl)methylsulfanyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]methyl]benzamide Traditional Name: N-[[4-allyl-5-[(4-chlorobenzyl)thio]-1,2,4-triazol-3-yl]methyl]benzamide Formula: C20H19ClN4OS MolecularWeight: 398.90906

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Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CC=C3

Isomeric SMILES

C=CCN1C(=NN=C1SCC2=CC=C(C=C2)Cl)CNC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H19ClN4OS/c1-2-12-25-18(13-22-19(26)16-6-4-3-5-7-16)23-24-20(25)27-14-15-8-10-17(21)11-9-15/h2-11H,1,12-14H2,(H,22,26)