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

Systemtic Name: 1-(4-methylphenyl)-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Openeye Name: 2-[[5-(1-naphthylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-1-(p-tolyl)ethanone CAS Name: 1-(4-methylphenyl)-2-[[5-(1-naphthalenylmethylthio)-1,3,4-thiadiazol-2-yl]thio]ethanone IUPAC Name: 1-(4-methylphenyl)-2-[[5-(naphthalen-1-ylmethylsulfanyl)-1,3,4-thiadiazol-2-yl]sulfanyl]ethanone Traditional Name: 2-[[5-(1-naphthylmethylthio)-1,3,4-thiadiazol-2-yl]thio]-1-(p-tolyl)ethanone Formula: C22H18N2OS3 MolecularWeight: 422.58612

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)CSC2=NN=C(S2)SCC3=CC=CC4=CC=CC=C43

InChI

InChI=1S/C22H18N2OS3/c1-15-9-11-17(12-10-15)20(25)14-27-22-24-23-21(28-22)26-13-18-7-4-6-16-5-2-3-8-19(16)18/h2-12H,13-14H2,1H3