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

Systemtic Name: 3-[(E)-3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-enyl]benzenecarbonitrile Openeye Name: 3-[(E)-3-oxo-3-(4-thiazol-2-ylpiperazin-1-yl)prop-1-enyl]benzonitrile CAS Name: 3-[(E)-3-oxo-3-[4-(2-thiazolyl)-1-piperazinyl]prop-1-enyl]benzonitrile IUPAC Name: 3-[(E)-3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-enyl]benzonitrile Traditional Name: 3-[(E)-3-keto-3-(4-thiazol-2-ylpiperazino)prop-1-enyl]benzonitrile Formula: C17H16N4OS MolecularWeight: 324.40014

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)C=CC3=CC=CC(=C3)C#N

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)/C=C/C3=CC=CC(=C3)C#N

InChI

InChI=1S/C17H16N4OS/c18-13-15-3-1-2-14(12-15)4-5-16(22)20-7-9-21(10-8-20)17-19-6-11-23-17/h1-6,11-12H,7-10H2/b5-4+