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

Systemtic Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Openeye Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(2-thienylmethyl)-1,2,4-triazole CAS Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(thiophen-2-ylmethyl)-1,2,4-triazole IUPAC Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-5-(thiophen-2-ylmethyl)-1,2,4-triazole Traditional Name: 4-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-5-(2-thenyl)-1,2,4-triazole Formula: C19H18N4O4S2 MolecularWeight: 430.50062

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CC5=CC=CS5

Isomeric SMILES

C1CC1N2C(=NN=C2SCC3=C4C(=CC(=C3)[N+](=O)[O-])COCO4)CC5=CC=CS5

InChI

InChI=1S/C19H18N4O4S2/c24-23(25)15-6-12-9-26-11-27-18(12)13(7-15)10-29-19-21-20-17(22(19)14-3-4-14)8-16-2-1-5-28-16/h1-2,5-7,14H,3-4,8-11H2