5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(4-chlorophenyl)sulfonylethylthio]-N-phenethyl-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(4-chlorophenyl)sulfonylethylsulfanyl]-N-phenethyl-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(4-chlorophenyl)sulfonylethylthio]-1,3,4-thiadiazol-2-yl]-phenethyl-amine Formula: C18H18ClN3O2S3 MolecularWeight: 440.00242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)CCNC2=NN=C(S2)SCCS(=O)(=O)C3=CC=C(C=C3)Cl

InChI

InChI=1S/C18H18ClN3O2S3/c19-15-6-8-16(9-7-15)27(23,24)13-12-25-18-22-21-17(26-18)20-11-10-14-4-2-1-3-5-14/h1-9H,10-13H2,(H,20,21)