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

Systemtic Name: 3-nitro-N-[5-[2-[(3-nitrophenyl)carbonylcarbamothioyl]hydrazinyl]-1,3,4-thiadiazol-2-yl]benzamide Openeye Name: 3-nitro-N-[5-[2-[(3-nitrobenzoyl)carbamothioyl]hydrazino]-1,3,4-thiadiazol-2-yl]benzamide CAS Name: 3-nitro-N-[5-[[[[(3-nitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-1,3,4-thiadiazol-2-yl]benzamide IUPAC Name: 3-nitro-N-[5-[2-[(3-nitrobenzoyl)carbamothioyl]hydrazinyl]-1,3,4-thiadiazol-2-yl]benzamide Traditional Name: 3-nitro-N-[5-[N'-[(3-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(=C1)[N+](=O)[O-])C(=O)NC2=NN=C(S2)NNC(=S)NC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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