2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(4-methyl-6-phenyl-pyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[(4-methyl-6-phenyl-2-pyrimidinyl)thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-methyl-6-phenylpyrimidin-2-yl)sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[(4-methyl-6-phenyl-pyrimidin-2-yl)thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C24H23N5O3S2 MolecularWeight: 493.60112

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=NC(=NC(=C1)C2=CC=CC=C2)SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C24H23N5O3S2/c1-18-15-21(19-7-3-2-4-8-19)27-24(26-18)33-17-23(30)28-11-13-29(14-12-28)34(31,32)22-10-6-5-9-20(22)16-25/h2-10,15H,11-14,17H2,1H3