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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-ethoxy-4-methoxy-2-nitro-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-ethoxy-4-methoxy-2-nitro-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-ethoxy-4-methoxy-2-nitrobenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-5-ethoxy-4-methoxy-2-nitro-benzamide Formula: C16H20N4O5S MolecularWeight: 380.4188

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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)OCC

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5S/c1-4-6-7-14-18-19-16(26-14)17-15(21)10-8-13(25-5-2)12(24-3)9-11(10)20(22)23/h8-9H,4-7H2,1-3H3,(H,17,19,21)