1-methyl-3-oxidanidyl-N-(3-propylsulfanylphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine

Systemtic Name: 1-methyl-3-oxidanidyl-N-(3-propylsulfanylphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine Openeye Name: 1-methyl-3-oxido-N-(3-propylsulfanylphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine CAS Name: 1-methyl-3-oxido-N-[3-(propylthio)phenyl]-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]-4-imidazolidin-3-iumamine IUPAC Name: 1-methyl-3-oxido-N-(3-propylsulfanylphenyl)-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-amine Traditional Name: [1-methyl-3-oxido-3-[5-(trifluoromethyl)-1,3,4-thiadiazol-2-yl]imidazolidin-3-ium-4-yl]-[3-(propylthio)phenyl]amine Formula: C16H20F3N5OS2 MolecularWeight: 419.48811

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=CC=CC(=C1)NC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

Isomeric SMILES

CCCSC1=CC=CC(=C1)NC2CN(C[N+]2(C3=NN=C(S3)C(F)(F)F)[O-])C

InChI

InChI=1S/C16H20F3N5OS2/c1-3-7-26-12-6-4-5-11(8-12)20-13-9-23(2)10-24(13,25)15-22-21-14(27-15)16(17,18)19/h4-6,8,13,20H,3,7,9-10H2,1-2H3