2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenyl-propanenitrile CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-phenylpropanenitrile IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-3-phenylpropanenitrile Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-3-phenyl-propionitrile Formula: C25H20N4O2S MolecularWeight: 440.5169

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC(CC5=CC=CC=C5)C#N

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC(CC5=CC=CC=C5)C#N

InChI

InChI=1S/C25H20N4O2S/c26-16-20(15-18-9-3-1-4-10-18)32-25-28-27-24(29(25)19-11-5-2-6-12-19)23-17-30-21-13-7-8-14-22(21)31-23/h1-14,20,23H,15,17H2