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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethyl-acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-phenethylacetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-phenethylacetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-phenethyl-acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NCCC2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NCCC2=CC=CC=C2

InChI

InChI=1S/C16H23N5OS/c1-2-3-9-14-19-20-16(21(14)17)23-12-15(22)18-11-10-13-7-5-4-6-8-13/h4-8H,2-3,9-12,17H2,1H3,(H,18,22)