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

Systemtic Name: 4,5-dimethoxy-2-nitro-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4,5-dimethoxy-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide CAS Name: 4,5-dimethoxy-2-nitro-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4,5-dimethoxy-2-nitro-N-(5-pentan-2-yl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4,5-dimethoxy-N-[5-(1-methylbutyl)-1,3,4-thiadiazol-2-yl]-2-nitro-benzamide Formula: C16H20N4O5S MolecularWeight: 380.4188

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H20N4O5S/c1-5-6-9(2)15-18-19-16(26-15)17-14(21)10-7-12(24-3)13(25-4)8-11(10)20(22)23/h7-9H,5-6H2,1-4H3,(H,17,19,21)