3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-N-(2-propylphenyl)imidazolidin-3-ium-4-amine

Systemtic Name: 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxidanidyl-N-(2-propylphenyl)imidazolidin-3-ium-4-amine Openeye Name: 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-N-(2-propylphenyl)imidazolidin-3-ium-4-amine CAS Name: 3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-N-(2-propylphenyl)-4-imidazolidin-3-iumamine IUPAC Name: 3-(5-hexylsulfanyl-1,3,4-thiadiazol-2-yl)-1-methyl-3-oxido-N-(2-propylphenyl)imidazolidin-3-ium-4-amine Traditional Name: [3-[5-(hexylthio)-1,3,4-thiadiazol-2-yl]-1-methyl-3-oxido-imidazolidin-3-ium-4-yl]-(2-propylphenyl)amine Formula: C21H33N5OS2 MolecularWeight: 435.64962

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2NC3=CC=CC=C3CCC)C)[O-]

Isomeric SMILES

CCCCCCSC1=NN=C(S1)[N+]2(CN(CC2NC3=CC=CC=C3CCC)C)[O-]

InChI

InChI=1S/C21H33N5OS2/c1-4-6-7-10-14-28-21-24-23-20(29-21)26(27)16-25(3)15-19(26)22-18-13-9-8-12-17(18)11-5-2/h8-9,12-13,19,22H,4-7,10-11,14-16H2,1-3H3