2-chloranyl-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)aniline; 4-methylbenzenesulfonic acid

Systemtic Name: 2-chloranyl-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)aniline; 4-methylbenzenesulfonic acid Openeye Name: 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)aniline; 4-methylbenzenesulfonic acid CAS Name: 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylthio)aniline; 4-methylbenzenesulfonic acid IUPAC Name: 2-chloro-4-(4,5-dihydro-1H-imidazol-2-ylmethylsulfanyl)aniline; 4-methylbenzenesulfonic acid Traditional Name: [2-chloro-4-(2-imidazolin-2-ylmethylthio)phenyl]amine; tosylic acid Formula: C17H20ClN3O3S2 MolecularWeight: 413.942

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)CSC2=CC(=C(C=C2)N)Cl

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.C1CN=C(N1)CSC2=CC(=C(C=C2)N)Cl

InChI

InChI=1S/C10H12ClN3S.C7H8O3S/c11-8-5-7(1-2-9(8)12)15-6-10-13-3-4-14-10;1-6-2-4-7(5-3-6)11(8,9)10/h1-2,5H,3-4,6,12H2,(H,13,14);2-5H,1H3,(H,8,9,10)