(4-bromophenyl)-[3-methyl-2-[3-[(phenylmethyl)amino]propylsulfanyl]imidazol-4-yl]methanone

Systemtic Name: (4-bromophenyl)-[3-methyl-2-[3-[(phenylmethyl)amino]propylsulfanyl]imidazol-4-yl]methanone Openeye Name: [2-[3-(benzylamino)propylsulfanyl]-3-methyl-imidazol-4-yl]-(4-bromophenyl)methanone CAS Name: (4-bromophenyl)-[3-methyl-2-[3-[(phenylmethyl)amino]propylthio]-4-imidazolyl]methanone IUPAC Name: [2-[3-(benzylamino)propylsulfanyl]-3-methylimidazol-4-yl]-(4-bromophenyl)methanone Traditional Name: [2-[3-(benzylamino)propylthio]-3-methyl-imidazol-4-yl]-(4-bromophenyl)methanone Formula: C21H22BrN3OS MolecularWeight: 444.38788

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=CN=C1SCCCNCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

Isomeric SMILES

CN1C(=CN=C1SCCCNCC2=CC=CC=C2)C(=O)C3=CC=C(C=C3)Br

InChI

InChI=1S/C21H22BrN3OS/c1-25-19(20(26)17-8-10-18(22)11-9-17)15-24-21(25)27-13-5-12-23-14-16-6-3-2-4-7-16/h2-4,6-11,15,23H,5,12-14H2,1H3