(2S)-1-(4-methylphenyl)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one

Systemtic Name: (2S)-1-(4-methylphenyl)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Openeye Name: (2S)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-(p-tolyl)propan-1-one CAS Name: (2S)-1-(4-methylphenyl)-2-[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]thio]-1-propanone IUPAC Name: (2S)-1-(4-methylphenyl)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propan-1-one Traditional Name: (2S)-2-[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]thio]-1-(p-tolyl)propan-1-one Formula: C20H18N2O2S3 MolecularWeight: 414.56412

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(=O)C(C)SC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

Isomeric SMILES

CC1=CC=C(C=C1)C(=O)[C@H](C)SC2=NN=C(S2)SCC(=O)C3=CC=CC=C3

InChI

InChI=1S/C20H18N2O2S3/c1-13-8-10-16(11-9-13)18(24)14(2)26-20-22-21-19(27-20)25-12-17(23)15-6-4-3-5-7-15/h3-11,14H,12H2,1-2H3/t14-/m0/s1