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

Systemtic Name: 2-methyl-3-nitro-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide Openeye Name: 2-methyl-3-nitro-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide CAS Name: 2-methyl-3-nitro-N-[sulfanylidene-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)amino]methyl]benzamide IUPAC Name: 2-methyl-3-nitro-N-[(2-sulfanylidene-3H-1,3,4-thiadiazol-5-yl)carbamothioyl]benzamide Traditional Name: 2-methyl-3-nitro-N-[(2-thioxo-3H-1,3,4-thiadiazol-5-yl)thiocarbamoyl]benzamide Formula: C11H9N5O3S3 MolecularWeight: 355.41586

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NNC(=S)S2

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])C(=O)NC(=S)NC2=NNC(=S)S2

InChI

InChI=1S/C11H9N5O3S3/c1-5-6(3-2-4-7(5)16(18)19)8(17)12-9(20)13-10-14-15-11(21)22-10/h2-4H,1H3,(H,15,21)(H2,12,13,14,17,20)