N-ethyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine

Systemtic Name: N-ethyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Openeye Name: N-ethyl-5-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: N-ethyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]-1,3,4-thiadiazol-2-amine IUPAC Name: N-ethyl-5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine Traditional Name: ethyl-[5-[(4-tosylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C18H19N3O2S3 MolecularWeight: 405.55736

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Descriptors Computed from Structure

Canonical SMILES:

CCNC1=NN=C(S1)SCC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCNC1=NN=C(S1)SCC2=CC=C(C=C2)S(=O)(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C18H19N3O2S3/c1-3-19-17-20-21-18(25-17)24-12-14-6-10-16(11-7-14)26(22,23)15-8-4-13(2)5-9-15/h4-11H,3,12H2,1-2H3,(H,19,20)