(2R)-3-(4-methylphenyl)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile

Systemtic Name: (2R)-3-(4-methylphenyl)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile Openeye Name: (2R)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-3-(p-tolyl)propanenitrile CAS Name: (2R)-3-(4-methylphenyl)-2-[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]thio]propanenitrile IUPAC Name: (2R)-3-(4-methylphenyl)-2-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanenitrile Traditional Name: (2R)-2-[[5-(phenacylthio)-1,3,4-thiadiazol-2-yl]thio]-3-(p-tolyl)propionitrile Formula: C20H17N3OS3 MolecularWeight: 411.56348

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H17N3OS3/c1-14-7-9-15(10-8-14)11-17(12-21)26-20-23-22-19(27-20)25-13-18(24)16-5-3-2-4-6-16/h2-10,17H,11,13H2,1H3/t17-/m1/s1