4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-butanamide

Systemtic Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-butanamide Openeye Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-butanamide CAS Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenethylbutanamide IUPAC Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylbutanamide Traditional Name: 4-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]-N-phenethyl-butyramide Formula: C22H26N4OS MolecularWeight: 394.53304

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCCCC(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

CCN1C(=NN=C1SCCCC(=O)NCCC2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-2-26-21(19-12-7-4-8-13-19)24-25-22(26)28-17-9-14-20(27)23-16-15-18-10-5-3-6-11-18/h3-8,10-13H,2,9,14-17H2,1H3,(H,23,27)