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

Systemtic Name: 4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 4-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Formula: C17H22N4O3S MolecularWeight: 362.44658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCC1=NN=C(S1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H22N4O3S/c1-2-3-4-5-6-7-8-15-19-20-17(25-15)18-16(22)13-9-11-14(12-10-13)21(23)24/h9-12H,2-8H2,1H3,(H,18,20,22)