3-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzaldehyde

Systemtic Name: 3-[3-oxidanylidene-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzaldehyde Openeye Name: 3-[3-oxo-3-(4-thiazol-2-ylpiperazin-1-yl)prop-1-ynyl]benzaldehyde CAS Name: 3-[3-oxo-3-[4-(2-thiazolyl)-1-piperazinyl]prop-1-ynyl]benzaldehyde IUPAC Name: 3-[3-oxo-3-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-1-ynyl]benzaldehyde Traditional Name: 3-[3-keto-3-(4-thiazol-2-ylpiperazino)prop-1-ynyl]benzaldehyde Formula: C17H15N3O2S MolecularWeight: 325.3849

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O2S/c21-13-15-3-1-2-14(12-15)4-5-16(22)19-7-9-20(10-8-19)17-18-6-11-23-17/h1-3,6,11-13H,7-10H2