2-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 2-[4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 2-[4-[2-(p-tolyl)thiazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 2-[[4-[[2-(4-methylphenyl)-4-thiazolyl]-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 2-[4-[2-(4-methylphenyl)-1,3-thiazole-4-carbonyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 2-[4-[2-(p-tolyl)thiazole-4-carbonyl]piperazino]sulfonylbenzonitrile Formula: C22H20N4O3S2 MolecularWeight: 452.5492

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

Isomeric SMILES

CC1=CC=C(C=C1)C2=NC(=CS2)C(=O)N3CCN(CC3)S(=O)(=O)C4=CC=CC=C4C#N

InChI

InChI=1S/C22H20N4O3S2/c1-16-6-8-17(9-7-16)21-24-19(15-30-21)22(27)25-10-12-26(13-11-25)31(28,29)20-5-3-2-4-18(20)14-23/h2-9,15H,10-13H2,1H3