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

Systemtic Name: 5-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-1,2,4-triazole Openeye Name: 5-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-1,2,4-triazole CAS Name: 5-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenyl-1,2,4-triazole IUPAC Name: 5-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-1-phenyl-1,2,4-triazole Traditional Name: 5-cyclopropyl-3-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-1-phenyl-1,2,4-triazole Formula: C20H18N4O4S MolecularWeight: 410.44632

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Descriptors Computed from Structure

Canonical SMILES:

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

Isomeric SMILES

C1CC1C2=NC(=NN2C3=CC=CC=C3)SCC4=C5C(=CC(=C4)[N+](=O)[O-])COCO5

InChI

InChI=1S/C20H18N4O4S/c25-24(26)17-8-14-10-27-12-28-18(14)15(9-17)11-29-20-21-19(13-6-7-13)23(22-20)16-4-2-1-3-5-16/h1-5,8-9,13H,6-7,10-12H2