3-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile

Systemtic Name: 3-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzenecarbonitrile Openeye Name: 3-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazin-1-yl]sulfonylbenzonitrile CAS Name: 3-[[4-[[2-(3-thiophenyl)-4-thiazolyl]methyl]-1-piperazinyl]sulfonyl]benzonitrile IUPAC Name: 3-[4-[(2-thiophen-3-yl-1,3-thiazol-4-yl)methyl]piperazin-1-yl]sulfonylbenzonitrile Traditional Name: 3-[4-[[2-(3-thienyl)thiazol-4-yl]methyl]piperazino]sulfonylbenzonitrile Formula: C19H18N4O2S3 MolecularWeight: 430.56682

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

Isomeric SMILES

C1CN(CCN1CC2=CSC(=N2)C3=CSC=C3)S(=O)(=O)C4=CC=CC(=C4)C#N

InChI

InChI=1S/C19H18N4O2S3/c20-11-15-2-1-3-18(10-15)28(24,25)23-7-5-22(6-8-23)12-17-14-27-19(21-17)16-4-9-26-13-16/h1-4,9-10,13-14H,5-8,12H2