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

Systemtic Name: 4-ethoxy-5-methoxy-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-ethoxy-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-2-nitro-benzamide CAS Name: 4-ethoxy-5-methoxy-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-ethoxy-5-methoxy-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-ethoxy-N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-5-methoxy-2-nitro-benzamide Formula: C17H22N4O5S MolecularWeight: 394.44538

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC)OC

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)C2=CC(=C(C=C2[N+](=O)[O-])OCC)OC

InChI

InChI=1S/C17H22N4O5S/c1-5-10(6-2)16-19-20-17(27-16)18-15(22)11-8-13(25-4)14(26-7-3)9-12(11)21(23)24/h8-10H,5-7H2,1-4H3,(H,18,20,22)