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

Systemtic Name: 2-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Openeye Name: 2-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide CAS Name: 2-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide IUPAC Name: 2-nitro-N-(5-octyl-1,3,4-thiadiazol-2-yl)benzamide Traditional Name: 2-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=CC=C2[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H22N4O3S/c1-2-3-4-5-6-7-12-15-19-20-17(25-15)18-16(22)13-10-8-9-11-14(13)21(23)24/h8-11H,2-7,12H2,1H3,(H,18,20,22)