4-nitro-N-[5-[2-[(4-nitrophenyl)carbonylcarbamothioyl]hydrazinyl]-1,3,4-thiadiazol-2-yl]benzamide

Systemtic Name: 4-nitro-N-[5-[2-[(4-nitrophenyl)carbonylcarbamothioyl]hydrazinyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 4-nitro-N-[5-[2-[(4-nitrobenzoyl)carbamothioyl]hydrazino]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 4-nitro-N-[5-[[[[(4-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 4-nitro-N-[5-[2-[(4-nitrobenzoyl)carbamothioyl]hydrazinyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 4-nitro-N-[5-[N'-[(4-nitrobenzoyl)thiocarbamoyl]hydrazino]-1,3,4-thiadiazol-2-yl]benzamide Formula: C17H12N8O6S2 MolecularWeight: 488.45718

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)NNC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C(=O)NC2=NN=C(S2)NNC(=S)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H12N8O6S2/c26-13(9-1-5-11(6-2-9)24(28)29)18-15(32)20-22-17-23-21-16(33-17)19-14(27)10-3-7-12(8-4-10)25(30)31/h1-8H,(H,22,23)(H,19,21,27)(H2,18,20,26,32)