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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxy-2-nitrobenzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxy-2-nitrobenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3,4,5-trimethoxy-2-nitro-benzamide Formula: C16H20N4O6S MolecularWeight: 396.4182

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C(=C2[N+](=O)[O-])OC)OC)OC

InChI

InChI=1S/C16H20N4O6S/c1-5-6-7-11-18-19-16(27-11)17-15(21)9-8-10(24-2)13(25-3)14(26-4)12(9)20(22)23/h8H,5-7H2,1-4H3,(H,17,19,21)