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

Systemtic Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Openeye Name: N-isobutyl-5-[[4-(p-tolylsulfonyl)phenyl]methylsulfanyl]-1,3,4-thiadiazol-2-amine CAS Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylthio]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine IUPAC Name: 5-[[4-(4-methylphenyl)sulfonylphenyl]methylsulfanyl]-N-(2-methylpropyl)-1,3,4-thiadiazol-2-amine Traditional Name: isobutyl-[5-[(4-tosylbenzyl)thio]-1,3,4-thiadiazol-2-yl]amine Formula: C20H23N3O2S3 MolecularWeight: 433.61052

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)NCC(C)C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)C2=CC=C(C=C2)CSC3=NN=C(S3)NCC(C)C

InChI

InChI=1S/C20H23N3O2S3/c1-14(2)12-21-19-22-23-20(27-19)26-13-16-6-10-18(11-7-16)28(24,25)17-8-4-15(3)5-9-17/h4-11,14H,12-13H2,1-3H3,(H,21,22)