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

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyridin-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-[4-[oxo(2-pyridinyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)-1-[4-(pyridine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-(4-picolinoylpiperazino)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=CC=CC=N3

Isomeric SMILES

C=C(C1=CC(=C(C=C1)S)[N+](=O)[O-])C(=O)N2CCN(CC2)C(=O)C3=CC=CC=N3

InChI

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