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

Systemtic Name: 4-cyclohexyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclohexyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclohexyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclohexyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclohexyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C22H24N4O4S2 MolecularWeight: 472.58036

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CC5=CC=CS5

Isomeric SMILES

C1CCC(CC1)N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CC5=CC=CS5

InChI

InChI=1S/C22H24N4O4S2/c27-26(28)18-9-15-12-29-14-30-21(15)16(10-18)13-32-22-24-23-20(11-19-7-4-8-31-19)25(22)17-5-2-1-3-6-17/h4,7-10,17H,1-3,5-6,11-14H2