2-(2,4-dimethylphenyl)-4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole

Systemtic Name: 2-(2,4-dimethylphenyl)-4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole Openeye Name: 2-(2,4-dimethylphenyl)-4-[[5-(4-methylpiperazin-1-yl)sulfonyl-2-pyridyl]sulfanylmethyl]oxazole CAS Name: 2-(2,4-dimethylphenyl)-4-[[[5-[(4-methyl-1-piperazinyl)sulfonyl]-2-pyridinyl]thio]methyl]oxazole IUPAC Name: 2-(2,4-dimethylphenyl)-4-[[5-(4-methylpiperazin-1-yl)sulfonylpyridin-2-yl]sulfanylmethyl]-1,3-oxazole Traditional Name: 2-(2,4-dimethylphenyl)-4-[[[5-(4-methylpiperazino)sulfonyl-2-pyridyl]thio]methyl]oxazole Formula: C22H26N4O3S2 MolecularWeight: 458.59684

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C

Isomeric SMILES

CC1=CC(=C(C=C1)C2=NC(=CO2)CSC3=NC=C(C=C3)S(=O)(=O)N4CCN(CC4)C)C

InChI

InChI=1S/C22H26N4O3S2/c1-16-4-6-20(17(2)12-16)22-24-18(14-29-22)15-30-21-7-5-19(13-23-21)31(27,28)26-10-8-25(3)9-11-26/h4-7,12-14H,8-11,15H2,1-3H3