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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CC=C3

Isomeric SMILES

CCCCC1=CC=C(C=C1)NC(=O)CSC2=NN=C(N2CC)C3=CC=CC=C3

InChI

InChI=1S/C22H26N4OS/c1-3-5-9-17-12-14-19(15-13-17)23-20(27)16-28-22-25-24-21(26(22)4-2)18-10-7-6-8-11-18/h6-8,10-15H,3-5,9,16H2,1-2H3,(H,23,27)