N-butyl-3-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: N-butyl-3-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]propanamide Openeye Name: N-butyl-3-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]propanamide CAS Name: N-butyl-3-[5-[(3-chlorophenyl)methylthio]-4-phenyl-1,2,4-triazol-3-yl]propanamide IUPAC Name: N-butyl-3-[5-[(3-chlorophenyl)methylsulfanyl]-4-phenyl-1,2,4-triazol-3-yl]propanamide Traditional Name: N-butyl-3-[5-[(3-chlorobenzyl)thio]-4-phenyl-1,2,4-triazol-3-yl]propionamide Formula: C22H25ClN4OS MolecularWeight: 428.9781

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

Isomeric SMILES

CCCCNC(=O)CCC1=NN=C(N1C2=CC=CC=C2)SCC3=CC(=CC=C3)Cl

InChI

InChI=1S/C22H25ClN4OS/c1-2-3-14-24-21(28)13-12-20-25-26-22(27(20)19-10-5-4-6-11-19)29-16-17-8-7-9-18(23)15-17/h4-11,15H,2-3,12-14,16H2,1H3,(H,24,28)