4-methoxy-3-nitro-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide

Systemtic Name: 4-methoxy-3-nitro-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide Openeye Name: 4-methoxy-3-nitro-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide CAS Name: 4-methoxy-3-nitro-N-[sulfanylidene-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]benzamide IUPAC Name: 4-methoxy-3-nitro-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide Traditional Name: 4-methoxy-3-nitro-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thiocarbamoyl]benzamide Formula: C11H9N5O4S3 MolecularWeight: 371.41526

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NNC(=S)S2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)NC(=S)NC2=NNC(=S)S2)[N+](=O)[O-]

InChI

InChI=1S/C11H9N5O4S3/c1-20-7-3-2-5(4-6(7)16(18)19)8(17)12-9(21)13-10-14-15-11(22)23-10/h2-4H,1H3,(H,15,22)(H2,12,13,14,17,21)