4-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-1-phenyl-butan-1-one

Systemtic Name: 4-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]sulfanyl]-1-phenyl-butan-1-one Openeye Name: 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-phenyl-butan-1-one CAS Name: 4-[[5-methyl-4-(phenylmethyl)-1H-imidazol-2-yl]thio]-1-phenyl-1-butanone IUPAC Name: 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)sulfanyl]-1-phenylbutan-1-one Traditional Name: 4-[(4-benzyl-5-methyl-1H-imidazol-2-yl)thio]-1-phenyl-butan-1-one Formula: C21H22N2OS MolecularWeight: 350.47718

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=C(N1)SCCCC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

Isomeric SMILES

CC1=C(N=C(N1)SCCCC(=O)C2=CC=CC=C2)CC3=CC=CC=C3

InChI

InChI=1S/C21H22N2OS/c1-16-19(15-17-9-4-2-5-10-17)23-21(22-16)25-14-8-13-20(24)18-11-6-3-7-12-18/h2-7,9-12H,8,13-15H2,1H3,(H,22,23)