5-[4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile

Systemtic Name: 5-[4-[2-(4-bromanyl-2,5-dimethyl-phenyl)sulfanylethanoyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Openeye Name: 5-[4-[2-(4-bromo-2,5-dimethyl-phenyl)sulfanylacetyl]piperazin-1-yl]-2-cyclopropyl-oxazole-4-carbonitrile CAS Name: 5-[4-[2-[(4-bromo-2,5-dimethylphenyl)thio]-1-oxoethyl]-1-piperazinyl]-2-cyclopropyl-4-oxazolecarbonitrile IUPAC Name: 5-[4-[2-(4-bromo-2,5-dimethylphenyl)sulfanylacetyl]piperazin-1-yl]-2-cyclopropyl-1,3-oxazole-4-carbonitrile Traditional Name: 5-[4-[2-[(4-bromo-2,5-dimethyl-phenyl)thio]acetyl]piperazino]-2-cyclopropyl-oxazole-4-carbonitrile Formula: C21H23BrN4O2S MolecularWeight: 475.40192

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N

Isomeric SMILES

CC1=CC(=C(C=C1Br)C)SCC(=O)N2CCN(CC2)C3=C(N=C(O3)C4CC4)C#N

InChI

InChI=1S/C21H23BrN4O2S/c1-13-10-18(14(2)9-16(13)22)29-12-19(27)25-5-7-26(8-6-25)21-17(11-23)24-20(28-21)15-3-4-15/h9-10,15H,3-8,12H2,1-2H3