2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-ethanone; 4-phenylbenzenesulfonic acid

Systemtic Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-ethanone; 4-phenylbenzenesulfonic acid Openeye Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenyl-ethanone; 4-phenylbenzenesulfonic acid CAS Name: 2-(4,5-dihydro-1H-imidazol-2-ylthio)-1-phenylethanone; 4-phenylbenzenesulfonic acid IUPAC Name: 2-(4,5-dihydro-1H-imidazol-2-ylsulfanyl)-1-phenylethanone; 4-phenylbenzenesulfonic acid Traditional Name: 2-(2-imidazolin-2-ylthio)-1-phenyl-ethanone; 4-phenylbesylic acid Formula: C23H22N2O4S2 MolecularWeight: 454.56178

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Descriptors Computed from Structure

Canonical SMILES:

C1CN=C(N1)SCC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O

Isomeric SMILES

C1CN=C(N1)SCC(=O)C2=CC=CC=C2.C1=CC=C(C=C1)C2=CC=C(C=C2)S(=O)(=O)O

InChI

InChI=1S/C12H10O3S.C11H12N2OS/c13-16(14,15)12-8-6-11(7-9-12)10-4-2-1-3-5-10;14-10(9-4-2-1-3-5-9)8-15-11-12-6-7-13-11/h1-9H,(H,13,14,15);1-5H,6-8H2,(H,12,13)