5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine

Systemtic Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Openeye Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-N-isobutyl-1,3,4-thiadiazol-2-amine CAS Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylthio]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[2-(2,5-dimethylphenyl)sulfonylethylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Traditional Name: [5-[2-(2,5-dimethylphenyl)sulfonylethylthio]-1,3,4-thiadiazol-2-yl]-isobutyl-amine Formula: C16H23N3O2S3 MolecularWeight: 385.56772

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NN=C(S2)NCC(C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C)S(=O)(=O)CCSC2=NN=C(S2)NCC(C)C

InChI

InChI=1S/C16H23N3O2S3/c1-11(2)10-17-15-18-19-16(23-15)22-7-8-24(20,21)14-9-12(3)5-6-13(14)4/h5-6,9,11H,7-8,10H2,1-4H3,(H,17,18)