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

Systemtic Name: N-(2-methoxyethyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-methoxyethyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(2-methoxyethyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-methoxyethyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 2-methoxyethyl-[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C12H11F3N4O3S2 MolecularWeight: 380.36595

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H11F3N4O3S2/c1-22-5-4-16-10-17-18-11(24-10)23-9-3-2-7(12(13,14)15)6-8(9)19(20)21/h2-3,6H,4-5H2,1H3,(H,16,17)