2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one

Systemtic Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Openeye Name: 2-(3-nitro-4-sulfanyl-phenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one CAS Name: 2-(4-mercapto-3-nitrophenyl)-1-[4-(2-pyrimidinyl)-1-piperazinyl]-2-propen-1-one IUPAC Name: 2-(3-nitro-4-sulfanylphenyl)-1-(4-pyrimidin-2-ylpiperazin-1-yl)prop-2-en-1-one Traditional Name: 2-(4-mercapto-3-nitro-phenyl)-1-[4-(2-pyrimidyl)piperazino]prop-2-en-1-one Formula: C17H17N5O3S MolecularWeight: 371.41358

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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)C3=NC=CC=N3

Isomeric SMILES

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

InChI

InChI=1S/C17H17N5O3S/c1-12(13-3-4-15(26)14(11-13)22(24)25)16(23)20-7-9-21(10-8-20)17-18-5-2-6-19-17/h2-6,11,26H,1,7-10H2