2-methyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazole

Systemtic Name: 2-methyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazole Openeye Name: 2-methyl-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazole CAS Name: 2-methyl-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazole IUPAC Name: 2-methyl-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazole Traditional Name: 2-[(4-mesyl-2-nitro-phenyl)thio]-5-methyl-1,3,4-thiadiazole Formula: C10H9N3O4S3 MolecularWeight: 331.39116

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C10H9N3O4S3/c1-6-11-12-10(18-6)19-9-4-3-7(20(2,16)17)5-8(9)13(14)15/h3-5H,1-2H3