N-(2,5-dimethylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,5-dimethylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-(2,5-dimethylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,5-dimethylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,5-dimethylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(2,5-dimethylphenyl)-2-[(5-phenethyl-4-propyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C23H28N4OS MolecularWeight: 408.55962

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)C)CCC3=CC=CC=C3

Isomeric SMILES

CCCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)C)CCC3=CC=CC=C3

InChI

InChI=1S/C23H28N4OS/c1-4-14-27-21(13-12-19-8-6-5-7-9-19)25-26-23(27)29-16-22(28)24-20-15-17(2)10-11-18(20)3/h5-11,15H,4,12-14,16H2,1-3H3,(H,24,28)