5-(4-methyl-3-nitro-phenyl)-3H-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-(4-methyl-3-nitro-phenyl)-3H-1,3,4-thiadiazole-2-thione Openeye Name: 5-(4-methyl-3-nitro-phenyl)-3H-1,3,4-thiadiazole-2-thione CAS Name: 5-(4-methyl-3-nitrophenyl)-3H-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(4-methyl-3-nitrophenyl)-3H-1,3,4-thiadiazole-2-thione Traditional Name: 5-(4-methyl-3-nitro-phenyl)-3H-1,3,4-thiadiazole-2-thione Formula: C9H7N3O2S2 MolecularWeight: 253.30078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NNC(=S)S2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NNC(=S)S2)[N+](=O)[O-]

InChI

InChI=1S/C9H7N3O2S2/c1-5-2-3-6(4-7(5)12(13)14)8-10-11-9(15)16-8/h2-4H,1H3,(H,11,15)