1-[(3R,4S)-1-(3,4-dimethylphenyl)sulfanyl-4-oxidanyl-pentan-3-yl]imidazole-4-carboxamide

Systemtic Name: 1-[(3R,4S)-1-(3,4-dimethylphenyl)sulfanyl-4-oxidanyl-pentan-3-yl]imidazole-4-carboxamide Openeye Name: 1-[(1R,2S)-1-[2-(3,4-dimethylphenyl)sulfanylethyl]-2-hydroxy-propyl]imidazole-4-carboxamide CAS Name: 1-[(3R,4S)-1-[(3,4-dimethylphenyl)thio]-4-hydroxypentan-3-yl]-4-imidazolecarboxamide IUPAC Name: 1-[(3R,4S)-1-(3,4-dimethylphenyl)sulfanyl-4-hydroxypentan-3-yl]imidazole-4-carboxamide Traditional Name: 1-[(1R,2S)-1-[2-[(3,4-dimethylphenyl)thio]ethyl]-2-hydroxy-propyl]imidazole-4-carboxamide Formula: C17H23N3O2S MolecularWeight: 333.44842

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)SCCC(C(C)O)N2C=C(N=C2)C(=O)N)C

Isomeric SMILES

CC1=C(C=C(C=C1)SCC[C@H]([C@H](C)O)N2C=C(N=C2)C(=O)N)C

InChI

InChI=1S/C17H23N3O2S/c1-11-4-5-14(8-12(11)2)23-7-6-16(13(3)21)20-9-15(17(18)22)19-10-20/h4-5,8-10,13,16,21H,6-7H2,1-3H3,(H2,18,22)/t13-,16+/m0/s1