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

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyrazin-2-ylcarbonylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-[4-[oxo(2-pyrazinyl)methyl]-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)-1-[4-(pyrazine-2-carbonyl)piperazin-1-yl]prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-(4-pyrazinoylpiperazino)prop-2-en-1-one Formula: C18H17N5O4S MolecularWeight: 399.42368

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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=NC=CN=C3

Isomeric SMILES

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

InChI

InChI=1S/C18H17N5O4S/c1-12(13-2-3-16(28)15(10-13)23(26)27)17(24)21-6-8-22(9-7-21)18(25)14-11-19-4-5-20-14/h2-5,10-11,28H,1,6-9H2