3,4,5-trimethoxy-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 3,4,5-trimethoxy-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-(5-pentyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-(5-amyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C17H22N4O6S MolecularWeight: 410.44478

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C17H22N4O6S/c1-5-6-7-8-12-19-20-17(28-12)18-16(22)10-9-11(25-2)14(26-3)15(27-4)13(10)21(23)24/h9H,5-8H2,1-4H3,(H,18,20,22)