5-azanyl-2-(3-nitronaphthalen-1-yl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one

Systemtic Name: 5-azanyl-2-(3-nitronaphthalen-1-yl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Openeye Name: 5-amino-2-(3-nitro-1-naphthyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one CAS Name: 5-amino-2-(3-nitro-1-naphthalenyl)-4-[3-(trifluoromethyl)phenyl]-3-thiophenone IUPAC Name: 5-amino-2-(3-nitronaphthalen-1-yl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Traditional Name: 5-amino-2-(3-nitro-1-naphthyl)-4-[3-(trifluoromethyl)phenyl]thiophen-3-one Formula: C21H13F3N2O3S MolecularWeight: 430.39973

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=C(C=C2C3C(=O)C(=C(S3)N)C4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=C(C=C2C3C(=O)C(=C(S3)N)C4=CC(=CC=C4)C(F)(F)F)[N+](=O)[O-]

InChI

InChI=1S/C21H13F3N2O3S/c22-21(23,24)13-6-3-5-12(8-13)17-18(27)19(30-20(17)25)16-10-14(26(28)29)9-11-4-1-2-7-15(11)16/h1-10,19H,25H2