N-(2-methoxyethyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-methoxyethyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-methoxyethyl)-5-(4-methylsulfonyl-2-nitro-phenyl)sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methoxyethyl)-5-[(4-methylsulfonyl-2-nitrophenyl)thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methoxyethyl)-5-(4-methylsulfonyl-2-nitrophenyl)sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[(4-mesyl-2-nitro-phenyl)thio]-1,3,4-thiadiazol-2-yl]-(2-methoxyethyl)amine Formula: C12H14N4O5S3 MolecularWeight: 390.45836

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=NN=C(S1)SC2=C(C=C(C=C2)S(=O)(=O)C)[N+](=O)[O-]

InChI

InChI=1S/C12H14N4O5S3/c1-21-6-5-13-11-14-15-12(23-11)22-10-4-3-8(24(2,19)20)7-9(10)16(17)18/h3-4,7H,5-6H2,1-2H3,(H,13,14)