N-[(2R)-butan-2-yl]-N-butyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-[(2R)-butan-2-yl]-N-butyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-butyl-N-[(1R)-1-methylpropyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-[(2R)-butan-2-yl]-N-butyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-[(2R)-butan-2-yl]-N-butyl-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-butyl-N-[(1R)-1-methylpropyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C18H26N4OS MolecularWeight: 346.49024

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C(C)CC)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

Isomeric SMILES

CCCCN([C@H](C)CC)C(=O)CSC1=NNC(=N1)C2=CC=CC=C2

InChI

InChI=1S/C18H26N4OS/c1-4-6-12-22(14(3)5-2)16(23)13-24-18-19-17(20-21-18)15-10-8-7-9-11-15/h7-11,14H,4-6,12-13H2,1-3H3,(H,19,20,21)/t14-/m1/s1