2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]ethanamide

Systemtic Name: 2-[(5-oxidanylidene-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]ethanamide Openeye Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]acetamide CAS Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-phenylbutyl]acetamide IUPAC Name: 2-[(5-oxo-4-phenethyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(1R)-1-phenylbutyl]acetamide Traditional Name: 2-[(5-keto-4-phenethyl-1H-1,2,4-triazol-3-yl)thio]-N-[(1R)-1-phenylbutyl]acetamide Formula: C22H26N4O2S MolecularWeight: 410.53244

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(C1=CC=CC=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

Isomeric SMILES

CCC[C@H](C1=CC=CC=C1)NC(=O)CSC2=NNC(=O)N2CCC3=CC=CC=C3

InChI

InChI=1S/C22H26N4O2S/c1-2-9-19(18-12-7-4-8-13-18)23-20(27)16-29-22-25-24-21(28)26(22)15-14-17-10-5-3-6-11-17/h3-8,10-13,19H,2,9,14-16H2,1H3,(H,23,27)(H,24,28)/t19-/m1/s1