S-[[5-(1-methyl-5-nitro-4,5-dihydroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]] carbamothioate

Systemtic Name: S-[[5-(1-methyl-5-nitro-4,5-dihydroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]] carbamothioate Openeye Name: S-[[5-(1-methyl-5-nitro-4,5-dihydroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]] carbamothioate CAS Name: carbamothioic acid S-[[5-(1-methyl-5-nitro-4,5-dihydroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]] ester IUPAC Name: S-[[5-(1-methyl-5-nitro-4,5-dihydroimidazol-2-yl)-1,3,4-thiadiazol-2-yl]] carbamothioate Traditional Name: thiocarbamic acid S-[[5-(1-methyl-5-nitro-2-imidazolin-2-yl)-1,3,4-thiadiazol-2-yl]] ester Formula: C7H8N6O3S2 MolecularWeight: 288.30682

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(CN=C1C2=NN=C(S2)SC(=O)N)[N+](=O)[O-]

Isomeric SMILES

CN1C(CN=C1C2=NN=C(S2)SC(=O)N)[N+](=O)[O-]

InChI

InChI=1S/C7H8N6O3S2/c1-12-3(13(15)16)2-9-4(12)5-10-11-7(17-5)18-6(8)14/h3H,2H2,1H3,(H2,8,14)