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

Systemtic Name: (2S)-1-(4-fluorophenyl)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-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide CAS Name: (2S)-1-(4-fluorophenyl)sulfonyl-N-[5-(prop-2-enylthio)-1,3,4-thiadiazol-2-yl]-2-pyrrolidinecarboxamide IUPAC Name: (2S)-1-(4-fluorophenyl)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-(4-fluorophenyl)sulfonyl-pyrrolidine-2-carboxamide Formula: C16H17FN4O3S3 MolecularWeight: 428.524583

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN=C(S1)NC(=O)C2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

Isomeric SMILES

C=CCSC1=NN=C(S1)NC(=O)[C@@H]2CCCN2S(=O)(=O)C3=CC=C(C=C3)F

InChI

InChI=1S/C16H17FN4O3S3/c1-2-10-25-16-20-19-15(26-16)18-14(22)13-4-3-9-21(13)27(23,24)12-7-5-11(17)6-8-12/h2,5-8,13H,1,3-4,9-10H2,(H,18,19,22)/t13-/m0/s1