(2S)-1-(4-methylphenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide

Systemtic Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Openeye Name: (2S)-N-(5-allylsulfanyl-1,3,4-thiadiazol-2-yl)-1-(p-tolylsulfonyl)pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-methylphenyl)sulfonyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-methylphenyl)sulfonyl-N-(5-prop-2-enylsulfanyl-1,3,4-thiadiazol-2-yl)pyrrolidine-2-carboxamide Traditional Name: (2S)-N-[5-(allylthio)-1,3,4-thiadiazol-2-yl]-1-tosyl-pyrrolidine-2-carboxamide Formula: C17H20N4O3S3 MolecularWeight: 424.5607

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)N2CCCC2C(=O)NC3=NN=C(S3)SCC=C

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)N2CCC[C@H]2C(=O)NC3=NN=C(S3)SCC=C

InChI

InChI=1S/C17H20N4O3S3/c1-3-11-25-17-20-19-16(26-17)18-15(22)14-5-4-10-21(14)27(23,24)13-8-6-12(2)7-9-13/h3,6-9,14H,1,4-5,10-11H2,2H3,(H,18,19,22)/t14-/m0/s1