4-[[4-[(E)-3-(1,3-thiazol-2-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile

Systemtic Name: 4-[[4-[(E)-3-(1,3-thiazol-2-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzenecarbonitrile Openeye Name: 4-[[4-[(E)-3-thiazol-2-ylprop-2-enoyl]piperazin-1-yl]methyl]benzonitrile CAS Name: 4-[[4-[(E)-1-oxo-3-(2-thiazolyl)prop-2-enyl]-1-piperazinyl]methyl]benzonitrile IUPAC Name: 4-[[4-[(E)-3-(1,3-thiazol-2-yl)prop-2-enoyl]piperazin-1-yl]methyl]benzonitrile Traditional Name: 4-[[4-[(E)-3-thiazol-2-ylacryloyl]piperazino]methyl]benzonitrile Formula: C18H18N4OS MolecularWeight: 338.42672

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)C=CC3=NC=CS3

Isomeric SMILES

C1CN(CCN1CC2=CC=C(C=C2)C#N)C(=O)/C=C/C3=NC=CS3

InChI

InChI=1S/C18H18N4OS/c19-13-15-1-3-16(4-2-15)14-21-8-10-22(11-9-21)18(23)6-5-17-20-7-12-24-17/h1-7,12H,8-11,14H2/b6-5+