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

Systemtic Name: 3,4,5-trimethoxy-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-3,4,5-trimethoxy-2-nitro-benzamide CAS Name: 3,4,5-trimethoxy-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3,4,5-trimethoxy-2-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: N-[5-(1-ethylpropyl)-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:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O6S/c1-6-9(7-2)16-19-20-17(28-16)18-15(22)10-8-11(25-3)13(26-4)14(27-5)12(10)21(23)24/h8-9H,6-7H2,1-5H3,(H,18,20,22)