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

Systemtic Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzenecarbonitrile Openeye Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitro-benzonitrile CAS Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitrobenzonitrile IUPAC Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-5-nitrobenzonitrile Traditional Name: 2-[[5-(2,3-dihydro-1,4-benzodioxin-3-yl)-4-phenyl-1,2,4-triazol-3-yl]thio]-5-nitro-benzonitrile Formula: C23H15N5O4S MolecularWeight: 457.4613

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Descriptors Computed from Structure

Canonical SMILES:

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC5=C(C=C(C=C5)[N+](=O)[O-])C#N

Isomeric SMILES

C1C(OC2=CC=CC=C2O1)C3=NN=C(N3C4=CC=CC=C4)SC5=C(C=C(C=C5)[N+](=O)[O-])C#N

InChI

InChI=1S/C23H15N5O4S/c24-13-15-12-17(28(29)30)10-11-21(15)33-23-26-25-22(27(23)16-6-2-1-3-7-16)20-14-31-18-8-4-5-9-19(18)32-20/h1-12,20H,14H2