2-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone

Systemtic Name: 2-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 2-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone CAS Name: 2-[[5-[(2,5-dimethylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(2,5-dimethylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(2,5-dimethylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-ethanone Formula: C19H18N2OS3 MolecularWeight: 386.55402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)CSC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC(=C(C=C1)C)CSC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C19H18N2OS3/c1-13-8-9-14(2)16(10-13)11-23-18-20-21-19(25-18)24-12-17(22)15-6-4-3-5-7-15/h3-10H,11-12H2,1-2H3