3-nitro-N-[2-oxidanylidene-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide

Systemtic Name: 3-nitro-N-[2-oxidanylidene-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide Openeye Name: 3-nitro-N-[2-oxo-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide CAS Name: 3-nitro-N-[2-oxo-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide IUPAC Name: 3-nitro-N-[2-oxo-2-[(5-pentyl-1,3,4-thiadiazol-2-yl)amino]ethyl]benzamide Traditional Name: N-[2-[(5-amyl-1,3,4-thiadiazol-2-yl)amino]-2-keto-ethyl]-3-nitro-benzamide Formula: C16H19N5O4S MolecularWeight: 377.41816

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC1=NN=C(S1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCCC1=NN=C(S1)NC(=O)CNC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H19N5O4S/c1-2-3-4-8-14-19-20-16(26-14)18-13(22)10-17-15(23)11-6-5-7-12(9-11)21(24)25/h5-7,9H,2-4,8,10H2,1H3,(H,17,23)(H,18,20,22)