3-[(E)-2-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonylethenyl]benzenecarbonitrile

Systemtic Name: 3-[(E)-2-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonylethenyl]benzenecarbonitrile Openeye Name: 3-[(E)-2-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazin-1-yl]sulfonylvinyl]benzonitrile CAS Name: 3-[(E)-2-[[4-[(4-methyl-2-pyridin-4-yl-5-thiazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]ethenyl]benzonitrile IUPAC Name: 3-[(E)-2-[4-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]sulfonylethenyl]benzonitrile Traditional Name: 3-[(E)-2-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazino]sulfonylvinyl]benzonitrile Formula: C23H21N5O3S2 MolecularWeight: 479.57454

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)C=CC4=CC=CC(=C4)C#N

Isomeric SMILES

CC1=C(SC(=N1)C2=CC=NC=C2)C(=O)N3CCN(CC3)S(=O)(=O)/C=C/C4=CC=CC(=C4)C#N

InChI

InChI=1S/C23H21N5O3S2/c1-17-21(32-22(26-17)20-5-8-25-9-6-20)23(29)27-10-12-28(13-11-27)33(30,31)14-7-18-3-2-4-19(15-18)16-24/h2-9,14-15H,10-13H2,1H3/b14-7+