N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethanoyl-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-ethanamide

Systemtic Name: N-[4-[5-(1,3-benzodioxol-5-yl)-3-ethanoyl-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-ethanamide Openeye Name: N-[4-[3-acetyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanyl-acetamide CAS Name: N-[4-[3-acetyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide IUPAC Name: N-[4-[3-acetyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]phenyl]-2-phenylsulfanylacetamide Traditional Name: N-[4-[3-acetyl-5-(1,3-benzodioxol-5-yl)-1,2,4-triazol-1-yl]phenyl]-2-(phenylthio)acetamide Formula: C25H20N4O4S MolecularWeight: 472.5157

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5

Isomeric SMILES

CC(=O)C1=NN(C(=N1)C2=CC3=C(C=C2)OCO3)C4=CC=C(C=C4)NC(=O)CSC5=CC=CC=C5

InChI

InChI=1S/C25H20N4O4S/c1-16(30)24-27-25(17-7-12-21-22(13-17)33-15-32-21)29(28-24)19-10-8-18(9-11-19)26-23(31)14-34-20-5-3-2-4-6-20/h2-13H,14-15H2,1H3,(H,26,31)