2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyridin-3-ylcarbonylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyridin-3-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-[4-[oxo(3-pyridinyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)-1-[4-(pyridine-3-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-(4-nicotinoylpiperazino)prop-2-en-1-one Formula: C19H18N4O4S MolecularWeight: 398.43562

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Descriptors Computed from Structure

Canonical SMILES:

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=CN=CC=C3

InChI

InChI=1S/C19H18N4O4S/c1-13(14-4-5-17(28)16(11-14)23(26)27)18(24)21-7-9-22(10-8-21)19(25)15-3-2-6-20-12-15/h2-6,11-12,28H,1,7-10H2