(2R)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide

Systemtic Name: (2R)-2-[[5-oxidanylidene-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]sulfanyl]-N-phenyl-propanamide Openeye Name: (2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenyl-propanamide CAS Name: (2R)-2-[[5-oxo-4-(phenylmethyl)-1H-1,2,4-triazol-3-yl]thio]-N-phenylpropanamide IUPAC Name: (2R)-2-[(4-benzyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-phenylpropanamide Traditional Name: (2R)-2-[(4-benzyl-5-keto-1H-1,2,4-triazol-3-yl)thio]-N-phenyl-propionamide Formula: C18H18N4O2S MolecularWeight: 354.42612

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1)SC2=NNC(=O)N2CC3=CC=CC=C3

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC=C1)SC2=NNC(=O)N2CC3=CC=CC=C3

InChI

InChI=1S/C18H18N4O2S/c1-13(16(23)19-15-10-6-3-7-11-15)25-18-21-20-17(24)22(18)12-14-8-4-2-5-9-14/h2-11,13H,12H2,1H3,(H,19,23)(H,20,24)/t13-/m1/s1