2-(3-methyl-4-nitro-phenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)ethanamide

Systemtic Name: 2-(3-methyl-4-nitro-phenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)ethanamide Openeye Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-4-nitro-phenoxy)acetamide CAS Name: 2-(3-methyl-4-nitrophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide IUPAC Name: 2-(3-methyl-4-nitrophenoxy)-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)acetamide Traditional Name: N-[5-(1-ethylpropyl)-1,3,4-thiadiazol-2-yl]-2-(3-methyl-4-nitro-phenoxy)acetamide Formula: C16H20N4O4S MolecularWeight: 364.4194

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C1=NN=C(S1)NC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCC(CC)C1=NN=C(S1)NC(=O)COC2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C16H20N4O4S/c1-4-11(5-2)15-18-19-16(25-15)17-14(21)9-24-12-6-7-13(20(22)23)10(3)8-12/h6-8,11H,4-5,9H2,1-3H3,(H,17,19,21)