3-(3-nitrophenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one

Systemtic Name: 3-(3-nitrophenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Openeye Name: 3-(3-nitrophenyl)-1-(4-thiazol-2-ylpiperazin-1-yl)prop-2-yn-1-one CAS Name: 3-(3-nitrophenyl)-1-[4-(2-thiazolyl)-1-piperazinyl]-2-propyn-1-one IUPAC Name: 3-(3-nitrophenyl)-1-[4-(1,3-thiazol-2-yl)piperazin-1-yl]prop-2-yn-1-one Traditional Name: 3-(3-nitrophenyl)-1-(4-thiazol-2-ylpiperazino)prop-2-yn-1-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=CS2)C(=O)C#CC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1C2=NC=CS2)C(=O)C#CC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O3S/c21-15(5-4-13-2-1-3-14(12-13)20(22)23)18-7-9-19(10-8-18)16-17-6-11-24-16/h1-3,6,11-12H,7-10H2