3,5-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonyl-1,2-oxazole

Systemtic Name: 3,5-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonyl-1,2-oxazole Openeye Name: 3,5-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonyl-isoxazole CAS Name: 3,5-dimethyl-4-[[4-[[4-(methylthio)phenyl]methyl]-1-piperazinyl]sulfonyl]isoxazole IUPAC Name: 3,5-dimethyl-4-[4-[(4-methylsulfanylphenyl)methyl]piperazin-1-yl]sulfonyl-1,2-oxazole Traditional Name: 3,5-dimethyl-4-[4-[4-(methylthio)benzyl]piperazino]sulfonyl-isoxazole Formula: C17H23N3O3S2 MolecularWeight: 381.51282

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC

Isomeric SMILES

CC1=C(C(=NO1)C)S(=O)(=O)N2CCN(CC2)CC3=CC=C(C=C3)SC

InChI

InChI=1S/C17H23N3O3S2/c1-13-17(14(2)23-18-13)25(21,22)20-10-8-19(9-11-20)12-15-4-6-16(24-3)7-5-15/h4-7H,8-12H2,1-3H3