N-phenethyl-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-phenethyl-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-benzyl-N-phenethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-phenethyl-N-(phenylmethyl)-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-benzyl-N-phenethyl-2-[(5-pyridin-4-yl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-benzyl-N-phenethyl-2-[[5-(4-pyridyl)-1H-1,2,4-triazol-3-yl]thio]acetamide Formula: C24H23N5OS MolecularWeight: 429.53732

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)CSC3=NNC(=N3)C4=CC=NC=C4

InChI

InChI=1S/C24H23N5OS/c30-22(18-31-24-26-23(27-28-24)21-11-14-25-15-12-21)29(17-20-9-5-2-6-10-20)16-13-19-7-3-1-4-8-19/h1-12,14-15H,13,16-18H2,(H,26,27,28)