(E)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one

Systemtic Name: (E)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one Openeye Name: (E)-1-[4-(6-nitro-3-pyridyl)piperazin-1-yl]-3-(5-phenyl-2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-(6-nitro-3-pyridinyl)-1-piperazinyl]-3-(5-phenyl-2-thiophenyl)-2-propen-1-one IUPAC Name: (E)-1-[4-(6-nitropyridin-3-yl)piperazin-1-yl]-3-(5-phenylthiophen-2-yl)prop-2-en-1-one Traditional Name: (E)-1-[4-(6-nitro-3-pyridyl)piperazino]-3-(5-phenyl-2-thienyl)prop-2-en-1-one Formula: C22H20N4O3S MolecularWeight: 420.4842

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)C=CC3=CC=C(S3)C4=CC=CC=C4

Isomeric SMILES

C1CN(CCN1C2=CN=C(C=C2)[N+](=O)[O-])C(=O)/C=C/C3=CC=C(S3)C4=CC=CC=C4

InChI

InChI=1S/C22H20N4O3S/c27-22(11-8-19-7-9-20(30-19)17-4-2-1-3-5-17)25-14-12-24(13-15-25)18-6-10-21(23-16-18)26(28)29/h1-11,16H,12-15H2/b11-8+