4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-nitrothiophen-2-yl)sulfanyl-1H-1,2,4-triazol-5-one

Systemtic Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-nitrothiophen-2-yl)sulfanyl-1H-1,2,4-triazol-5-one Openeye Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-2-thienyl)sulfanyl]-1H-1,2,4-triazol-5-one CAS Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-2-thiophenyl)thio]-1H-1,2,4-triazol-5-one IUPAC Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-(5-nitrothiophen-2-yl)sulfanyl-1H-1,2,4-triazol-5-one Traditional Name: 4-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[(5-nitro-2-thienyl)thio]-1H-1,2,4-triazol-5-one Formula: C14H10N4O5S2 MolecularWeight: 378.383

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Descriptors Computed from Structure

Canonical SMILES:

C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=CC=C(S4)[N+](=O)[O-]

Isomeric SMILES

C1COC2=C(O1)C=CC(=C2)N3C(=O)NN=C3SC4=CC=C(S4)[N+](=O)[O-]

InChI

InChI=1S/C14H10N4O5S2/c19-13-15-16-14(25-12-4-3-11(24-12)18(20)21)17(13)8-1-2-9-10(7-8)23-6-5-22-9/h1-4,7H,5-6H2,(H,15,19)