N-[[4-methyl-5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide

Systemtic Name: N-[[4-methyl-5-[2-[(4-nitrophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Openeye Name: N-[[4-methyl-5-[2-(4-nitroanilino)-2-oxo-ethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide CAS Name: N-[[4-methyl-5-[[2-(4-nitroanilino)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide IUPAC Name: N-[[4-methyl-5-[2-(4-nitroanilino)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methyl]-1,3-benzodioxole-5-carboxamide Traditional Name: N-[[5-[[2-keto-2-(4-nitroanilino)ethyl]thio]-4-methyl-1,2,4-triazol-3-yl]methyl]-piperonylamide Formula: C20H18N6O6S MolecularWeight: 470.45852

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC4=C(C=C3)OCO4

Isomeric SMILES

CN1C(=NN=C1SCC(=O)NC2=CC=C(C=C2)[N+](=O)[O-])CNC(=O)C3=CC4=C(C=C3)OCO4

InChI

InChI=1S/C20H18N6O6S/c1-25-17(9-21-19(28)12-2-7-15-16(8-12)32-11-31-15)23-24-20(25)33-10-18(27)22-13-3-5-14(6-4-13)26(29)30/h2-8H,9-11H2,1H3,(H,21,28)(H,22,27)