1-[4-(prop-1-ynylamino)phenyl]sulfonylpyrrolidine-3-thiol

Systemtic Name: 1-[4-(prop-1-ynylamino)phenyl]sulfonylpyrrolidine-3-thiol Openeye Name: 1-[4-(prop-1-ynylamino)phenyl]sulfonylpyrrolidine-3-thiol CAS Name: 1-[4-(prop-1-ynylamino)phenyl]sulfonyl-3-pyrrolidinethiol IUPAC Name: 1-[4-(prop-1-ynylamino)phenyl]sulfonylpyrrolidine-3-thiol Traditional Name: 1-[4-(prop-1-ynylamino)phenyl]sulfonylpyrrolidine-3-thiol Formula: C13H16N2O2S2 MolecularWeight: 296.40834

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Descriptors Computed from Structure

Canonical SMILES:

CC#CNC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)S

Isomeric SMILES

CC#CNC1=CC=C(C=C1)S(=O)(=O)N2CCC(C2)S

InChI

InChI=1S/C13H16N2O2S2/c1-2-8-14-11-3-5-13(6-4-11)19(16,17)15-9-7-12(18)10-15/h3-6,12,14,18H,7,9-10H2,1H3