2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-ethanoylphenyl)propanamide

Systemtic Name: 2-[3-azanyl-5-(phenylmethylsulfanyl)-1,2,4-triazol-4-yl]-N-(3-ethanoylphenyl)propanamide Openeye Name: N-(3-acetylphenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)propanamide CAS Name: N-(3-acetylphenyl)-2-[3-amino-5-(phenylmethylthio)-1,2,4-triazol-4-yl]propanamide IUPAC Name: N-(3-acetylphenyl)-2-(3-amino-5-benzylsulfanyl-1,2,4-triazol-4-yl)propanamide Traditional Name: N-(3-acetylphenyl)-2-[3-amino-5-(benzylthio)-1,2,4-triazol-4-yl]propionamide Formula: C20H21N5O2S MolecularWeight: 395.47804

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=NN=C2SCC3=CC=CC=C3)N

Isomeric SMILES

CC(C(=O)NC1=CC=CC(=C1)C(=O)C)N2C(=NN=C2SCC3=CC=CC=C3)N

InChI

InChI=1S/C20H21N5O2S/c1-13(18(27)22-17-10-6-9-16(11-17)14(2)26)25-19(21)23-24-20(25)28-12-15-7-4-3-5-8-15/h3-11,13H,12H2,1-2H3,(H2,21,23)(H,22,27)