[2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone

Systemtic Name: [2-(phenylmethylsulfanyl)-4,5-dihydroimidazol-1-yl]-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Openeye Name: (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone CAS Name: [2-(phenylmethylthio)-4,5-dihydroimidazol-1-yl]-[4-(1-pyrrolidinylsulfonyl)phenyl]methanone IUPAC Name: (2-benzylsulfanyl-4,5-dihydroimidazol-1-yl)-(4-pyrrolidin-1-ylsulfonylphenyl)methanone Traditional Name: [2-(benzylthio)-2-imidazolin-1-yl]-(4-pyrrolidinosulfonylphenyl)methanone Formula: C21H23N3O3S2 MolecularWeight: 429.55562

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC=CC=C4

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN=C3SCC4=CC=CC=C4

InChI

InChI=1S/C21H23N3O3S2/c25-20(24-15-12-22-21(24)28-16-17-6-2-1-3-7-17)18-8-10-19(11-9-18)29(26,27)23-13-4-5-14-23/h1-3,6-11H,4-5,12-16H2