N-(4-fluorophenyl)-3-phenethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine

Systemtic Name: N-(4-fluorophenyl)-3-phenethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Openeye Name: N-(4-fluorophenyl)-3-phenethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)thiazol-2-imine CAS Name: N-(4-fluorophenyl)-3-phenethyl-4-[4-(1-pyrrolidinylsulfonyl)phenyl]-2-thiazolimine IUPAC Name: N-(4-fluorophenyl)-3-phenethyl-4-(4-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazol-2-imine Traditional Name: (4-fluorophenyl)-[3-phenethyl-4-(4-pyrrolidinosulfonylphenyl)-4-thiazolin-2-ylidene]amine Formula: C27H26FN3O2S2 MolecularWeight: 507.642643

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=C(C=C4)F)N3CCC5=CC=CC=C5

Isomeric SMILES

C1CCN(C1)S(=O)(=O)C2=CC=C(C=C2)C3=CSC(=NC4=CC=C(C=C4)F)N3CCC5=CC=CC=C5

InChI

InChI=1S/C27H26FN3O2S2/c28-23-10-12-24(13-11-23)29-27-31(19-16-21-6-2-1-3-7-21)26(20-34-27)22-8-14-25(15-9-22)35(32,33)30-17-4-5-18-30/h1-3,6-15,20H,4-5,16-19H2