1-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one

Systemtic Name: 1-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one Openeye Name: 1-[4-(5-nitrothiazol-2-yl)piperazin-1-yl]-3-phenyl-prop-2-yn-1-one CAS Name: 1-[4-(5-nitro-2-thiazolyl)-1-piperazinyl]-3-phenyl-2-propyn-1-one IUPAC Name: 1-[4-(5-nitro-1,3-thiazol-2-yl)piperazin-1-yl]-3-phenylprop-2-yn-1-one Traditional Name: 1-[4-(5-nitrothiazol-2-yl)piperazino]-3-phenyl-prop-2-yn-1-one Formula: C16H14N4O3S MolecularWeight: 342.37236

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=NC=C(S2)[N+](=O)[O-])C(=O)C#CC3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1C2=NC=C(S2)[N+](=O)[O-])C(=O)C#CC3=CC=CC=C3

InChI

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