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

Systemtic Name: 3-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1,2,4-triazole Openeye Name: 3-(m-tolyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1,2,4-triazole CAS Name: 3-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-propyl-1,2,4-triazole IUPAC Name: 3-(3-methylphenyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylsulfanyl]-4-propyl-1,2,4-triazole Traditional Name: 3-(m-tolyl)-5-[(6-nitro-4H-1,3-benzodioxin-8-yl)methylthio]-4-propyl-1,2,4-triazole Formula: C21H22N4O4S MolecularWeight: 426.48878

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC(=CC=C4)C

Isomeric SMILES

CCCN1C(=NN=C1SCC2=C3C(=CC(=C2)[N+](=O)[O-])COCO3)C4=CC(=CC=C4)C

InChI

InChI=1S/C21H22N4O4S/c1-3-7-24-20(15-6-4-5-14(2)8-15)22-23-21(24)30-12-17-10-18(25(26)27)9-16-11-28-13-29-19(16)17/h4-6,8-10H,3,7,11-13H2,1-2H3