N-(2-ethylphenyl)-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-ethylphenyl)-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-ethylphenyl)-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine CAS Name: N-(2-ethylphenyl)-5-[2-(4-morpholin-4-iumyl)ethylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-ethylphenyl)-5-(2-morpholin-4-ium-4-ylethylsulfanyl)-1,3,4-thiadiazol-2-amine Traditional Name: (2-ethylphenyl)-[5-(2-morpholin-4-ium-4-ylethylthio)-1,3,4-thiadiazol-2-yl]amine Formula: C16H23N4OS2+ MolecularWeight: 351.51002

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NN=C(S2)SCC[NH+]3CCOCC3

Isomeric SMILES

CCC1=CC=CC=C1NC2=NN=C(S2)SCC[NH+]3CCOCC3

InChI

InChI=1S/C16H22N4OS2/c1-2-13-5-3-4-6-14(13)17-15-18-19-16(23-15)22-12-9-20-7-10-21-11-8-20/h3-6H,2,7-12H2,1H3,(H,17,18)/p+1