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

Systemtic Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitro-benzamide Openeye Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitro-benzamide CAS Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitrobenzamide IUPAC Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitrobenzamide Traditional Name: N-(5-butyl-1,3,4-thiadiazol-2-yl)-3-methyl-4-nitro-benzamide Formula: C14H16N4O3S MolecularWeight: 320.36684

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCCC1=NN=C(S1)NC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C14H16N4O3S/c1-3-4-5-12-16-17-14(22-12)15-13(19)10-6-7-11(18(20)21)9(2)8-10/h6-8H,3-5H2,1-2H3,(H,15,17,19)