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

Systemtic Name: 3-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-nitro-benzamide CAS Name: 3-nitro-N-(5-pentan-3-yl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 3-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-nitro-benzamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16N4O3S/c1-3-9(4-2)13-16-17-14(22-13)15-12(19)10-6-5-7-11(8-10)18(20)21/h5-9H,3-4H2,1-2H3,(H,15,17,19)