2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanoyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[2-[[1-(2,3-dimethylphenyl)-2-imidazolyl]thio]-1-oxoethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-[[1-(2,3-dimethylphenyl)imidazol-2-yl]thio]acetyl]piperazino]sulfonylbenzonitrile Formula: C24H25N5O3S2 MolecularWeight: 495.617

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C=CN=C2SCC(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N)C

InChI

InChI=1S/C24H25N5O3S2/c1-18-6-5-8-21(19(18)2)29-11-10-26-24(29)33-17-23(30)27-12-14-28(15-13-27)34(31,32)22-9-4-3-7-20(22)16-25/h3-11H,12-15,17H2,1-2H3