N-(2-ethylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-(2-ethylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-(2-ethylphenyl)-5-[(3-morpholinosulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-(2-ethylphenyl)-5-[[3-(4-morpholinylsulfonyl)phenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-(2-ethylphenyl)-5-[(3-morpholin-4-ylsulfonylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: (2-ethylphenyl)-[5-[(3-morpholinosulfonylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C21H24N4O3S3 MolecularWeight: 476.63526

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

Isomeric SMILES

CCC1=CC=CC=C1NC2=NN=C(S2)SCC3=CC(=CC=C3)S(=O)(=O)N4CCOCC4

InChI

InChI=1S/C21H24N4O3S3/c1-2-17-7-3-4-9-19(17)22-20-23-24-21(30-20)29-15-16-6-5-8-18(14-16)31(26,27)25-10-12-28-13-11-25/h3-9,14H,2,10-13,15H2,1H3,(H,22,23)