(E)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one

Systemtic Name: (E)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-thiophen-2-yl-prop-2-en-1-one Openeye Name: (E)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-(2-thienyl)prop-2-en-1-one CAS Name: (E)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]-1-piperazinyl]-3-thiophen-2-yl-2-propen-1-one IUPAC Name: (E)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazin-1-yl]-3-thiophen-2-ylprop-2-en-1-one Traditional Name: (E)-1-[4-[2-nitro-4-(trifluoromethyl)phenyl]piperazino]-3-(2-thienyl)prop-2-en-1-one Formula: C18H16F3N3O3S MolecularWeight: 411.39815

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)C=CC3=CC=CS3

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(F)(F)F)[N+](=O)[O-])C(=O)/C=C/C3=CC=CS3

InChI

InChI=1S/C18H16F3N3O3S/c19-18(20,21)13-3-5-15(16(12-13)24(26)27)22-7-9-23(10-8-22)17(25)6-4-14-2-1-11-28-14/h1-6,11-12H,7-10H2/b6-4+