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

Systemtic Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-thiophen-2-yl-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-thiophen-2-yl-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thienyl)-1,2,4-triazole Formula: C18H16N4O4S2 MolecularWeight: 416.47404

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)C5=CC=CS5

InChI

InChI=1S/C18H16N4O4S2/c23-22(24)14-6-11-8-25-10-26-16(11)12(7-14)9-28-18-20-19-17(15-2-1-5-27-15)21(18)13-3-4-13/h1-2,5-7,13H,3-4,8-10H2