N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide

Systemtic Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide Openeye Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonyl-pyrrole-2-carboxamide CAS Name: N-[5-[(4-cyanophenyl)methylthio]-1,3,4-thiadiazol-2-yl]-1-methyl-4-(1-pyrrolidinylsulfonyl)-2-pyrrolecarboxamide IUPAC Name: N-[5-[(4-cyanophenyl)methylsulfanyl]-1,3,4-thiadiazol-2-yl]-1-methyl-4-pyrrolidin-1-ylsulfonylpyrrole-2-carboxamide Traditional Name: N-[5-[(4-cyanobenzyl)thio]-1,3,4-thiadiazol-2-yl]-1-methyl-4-pyrrolidinosulfonyl-pyrrole-2-carboxamide Formula: C20H20N6O3S3 MolecularWeight: 488.6062

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Descriptors Computed from Structure

Canonical SMILES:

CN1C=C(C=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCC4

Isomeric SMILES

CN1C=C(C=C1C(=O)NC2=NN=C(S2)SCC3=CC=C(C=C3)C#N)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H20N6O3S3/c1-25-12-16(32(28,29)26-8-2-3-9-26)10-17(25)18(27)22-19-23-24-20(31-19)30-13-15-6-4-14(11-21)5-7-15/h4-7,10,12H,2-3,8-9,13H2,1H3,(H,22,23,27)