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

Systemtic Name: 2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenyl-ethanone Openeye Name: 1-phenyl-2-[[5-(p-tolylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone CAS Name: 2-[[5-[(4-methylphenyl)methylthio]-1,3,4-thiadiazol-2-yl]thio]-1-phenylethanone IUPAC Name: 2-[[5-[(4-methylphenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]sulfanyl]-1-phenylethanone Traditional Name: 2-[[5-[(4-methylbenzyl)thio]-1,3,4-thiadiazol-2-yl]thio]-1-phenyl-ethanone Formula: C18H16N2OS3 MolecularWeight: 372.52744

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N2OS3/c1-13-7-9-14(10-8-13)11-22-17-19-20-18(24-17)23-12-16(21)15-5-3-2-4-6-15/h2-10H,11-12H2,1H3