N-[4-(3-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-propyl-propanamide

Systemtic Name: N-[4-(3-chlorophenyl)-5-(phenylmethylsulfanyl)-1,2,4-triazol-3-yl]-N-propyl-propanamide Openeye Name: N-[5-benzylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-propyl-propanamide CAS Name: N-[4-(3-chlorophenyl)-5-(phenylmethylthio)-1,2,4-triazol-3-yl]-N-propylpropanamide IUPAC Name: N-[5-benzylsulfanyl-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-propylpropanamide Traditional Name: N-[5-(benzylthio)-4-(3-chlorophenyl)-1,2,4-triazol-3-yl]-N-propyl-propionamide Formula: C21H23ClN4OS MolecularWeight: 414.95152

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(C1=NN=C(N1C2=CC(=CC=C2)Cl)SCC3=CC=CC=C3)C(=O)CC

Isomeric SMILES

CCCN(C1=NN=C(N1C2=CC(=CC=C2)Cl)SCC3=CC=CC=C3)C(=O)CC

InChI

InChI=1S/C21H23ClN4OS/c1-3-13-25(19(27)4-2)20-23-24-21(28-15-16-9-6-5-7-10-16)26(20)18-12-8-11-17(22)14-18/h5-12,14H,3-4,13,15H2,1-2H3