N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-N-[(E)-3-phenylprop-2-enyl]-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N-[(E)-cinnamyl]-N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]acetamide Formula: C27H24N4O3S MolecularWeight: 484.56946

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N(CC=CC3=CC=CC=C3)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N(C/C=C/C3=CC=CC=C3)C(=O)CSC4=NNC(=N4)C5=CC=CC=C5

InChI

InChI=1S/C27H24N4O3S/c32-25(19-35-27-28-26(29-30-27)21-11-5-2-6-12-21)31(15-7-10-20-8-3-1-4-9-20)22-13-14-23-24(18-22)34-17-16-33-23/h1-14,18H,15-17,19H2,(H,28,29,30)/b10-7+