2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(3-ethanoylphenyl)ethanamide Openeye Name: N-(3-acetylphenyl)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(3-acetylphenyl)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(3-acetylphenyl)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-(3-acetylphenyl)-2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]acetamide Formula: C16H21N5O2S MolecularWeight: 347.43524

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC(=C2)C(=O)C

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC2=CC=CC(=C2)C(=O)C

InChI

InChI=1S/C16H21N5O2S/c1-3-4-8-14-19-20-16(21(14)17)24-10-15(23)18-13-7-5-6-12(9-13)11(2)22/h5-7,9H,3-4,8,10,17H2,1-2H3,(H,18,23)