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

Systemtic Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine Openeye Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazol-4-amine CAS Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazol-4-amine IUPAC Name: 3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazol-4-amine Traditional Name: [3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)-1,2,4-triazol-4-yl]amine Formula: C15H13N5O4S2 MolecularWeight: 391.42482

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Descriptors Computed from Structure

Canonical SMILES:

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)C4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1C2=CC(=CC(=C2OCO1)CSC3=NN=C(N3N)C4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O4S2/c16-19-14(12-2-1-3-25-12)17-18-15(19)26-7-10-5-11(20(21)22)4-9-6-23-8-24-13(9)10/h1-5H,6-8,16H2