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

Systemtic Name: 4-[4-[(4-methyl-2-pyridin-4-yl-1,3-thiazol-5-yl)carbonyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 4-[[4-[(4-methyl-2-pyridin-4-yl-5-thiazolyl)-oxomethyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 4-[4-(4-methyl-2-pyridin-4-yl-1,3-thiazole-5-carbonyl)piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 4-[4-[4-methyl-2-(4-pyridyl)thiazole-5-carbonyl]piperazino]sulfonylbenzonitrile Formula: C21H19N5O3S2 MolecularWeight: 453.53726

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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)C4=CC=C(C=C4)C#N

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O3S2/c1-15-19(30-20(24-15)17-6-8-23-9-7-17)21(27)25-10-12-26(13-11-25)31(28,29)18-4-2-16(14-22)3-5-18/h2-9H,10-13H2,1H3