3-methyl-5-[[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole

Systemtic Name: 3-methyl-5-[[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole Openeye Name: 5-[(1-isopentylbenzimidazol-2-yl)sulfanylmethyl]-3-methyl-isoxazole CAS Name: 3-methyl-5-[[[1-(3-methylbutyl)-2-benzimidazolyl]thio]methyl]isoxazole IUPAC Name: 3-methyl-5-[[1-(3-methylbutyl)benzimidazol-2-yl]sulfanylmethyl]-1,2-oxazole Traditional Name: 5-[[(1-isoamylbenzimidazol-2-yl)thio]methyl]-3-methyl-isoxazole Formula: C17H21N3OS MolecularWeight: 315.43314

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NOC(=C1)CSC2=NC3=CC=CC=C3N2CCC(C)C

Isomeric SMILES

CC1=NOC(=C1)CSC2=NC3=CC=CC=C3N2CCC(C)C

InChI

InChI=1S/C17H21N3OS/c1-12(2)8-9-20-16-7-5-4-6-15(16)18-17(20)22-11-14-10-13(3)19-21-14/h4-7,10,12H,8-9,11H2,1-3H3