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

Systemtic Name: N-(3-ethoxypropyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Openeye Name: N-(3-ethoxypropyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine CAS Name: N-(3-ethoxypropyl)-5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(3-ethoxypropyl)-5-[2-nitro-4-(trifluoromethyl)phenyl]sulfanyl-1,3,4-thiadiazol-2-amine Traditional Name: 3-ethoxypropyl-[5-[[2-nitro-4-(trifluoromethyl)phenyl]thio]-1,3,4-thiadiazol-2-yl]amine Formula: C14H15F3N4O3S2 MolecularWeight: 408.41911

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Descriptors Computed from Structure

Canonical SMILES:

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

CCOCCCNC1=NN=C(S1)SC2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C14H15F3N4O3S2/c1-2-24-7-3-6-18-12-19-20-13(26-12)25-11-5-4-9(14(15,16)17)8-10(11)21(22)23/h4-5,8H,2-3,6-7H2,1H3,(H,18,19)