3-(naphthalen-1-ylmethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine

Systemtic Name: 3-(naphthalen-1-ylmethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Openeye Name: 3-(1-naphthylmethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine CAS Name: 3-(1-naphthalenylmethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-amine IUPAC Name: 3-(naphthalen-1-ylmethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1,2,4-triazol-4-amine Traditional Name: [3-(1-naphthylmethyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1,2,4-triazol-4-yl]amine Formula: C22H19N5O4S MolecularWeight: 449.48236

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)CC4=CC=CC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O4S/c23-26-20(10-15-6-3-5-14-4-1-2-7-19(14)15)24-25-22(26)32-12-17-9-18(27(28)29)8-16-11-30-13-31-21(16)17/h1-9H,10-13,23H2