2-(phenylmethylsulfanyl)-5-[4-(phenylsulfonyl)phenyl]-1,3,4-thiadiazole

Systemtic Name: 2-(phenylmethylsulfanyl)-5-[4-(phenylsulfonyl)phenyl]-1,3,4-thiadiazole Openeye Name: 2-[4-(benzenesulfonyl)phenyl]-5-benzylsulfanyl-1,3,4-thiadiazole CAS Name: 2-[4-(benzenesulfonyl)phenyl]-5-(phenylmethylthio)-1,3,4-thiadiazole IUPAC Name: 2-[4-(benzenesulfonyl)phenyl]-5-benzylsulfanyl-1,3,4-thiadiazole Traditional Name: 2-(benzylthio)-5-(4-besylphenyl)-1,3,4-thiadiazole Formula: C21H16N2O2S3 MolecularWeight: 424.55894

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN=C(S2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN=C(S2)C3=CC=C(C=C3)S(=O)(=O)C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O2S3/c24-28(25,18-9-5-2-6-10-18)19-13-11-17(12-14-19)20-22-23-21(27-20)26-15-16-7-3-1-4-8-16/h1-14H,15H2