4-azanyl-5-(1,3-benzodioxol-5-ylcarbonyl)-2-[[3-(trifluoromethyl)phenyl]amino]thiophene-3-carbonitrile

Systemtic Name: 4-azanyl-5-(1,3-benzodioxol-5-ylcarbonyl)-2-[[3-(trifluoromethyl)phenyl]amino]thiophene-3-carbonitrile Openeye Name: 4-amino-5-(1,3-benzodioxole-5-carbonyl)-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile CAS Name: 4-amino-5-[1,3-benzodioxol-5-yl(oxo)methyl]-2-[3-(trifluoromethyl)anilino]-3-thiophenecarbonitrile IUPAC Name: 4-amino-5-(1,3-benzodioxole-5-carbonyl)-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile Traditional Name: 4-amino-5-piperonyloyl-2-[3-(trifluoromethyl)anilino]thiophene-3-carbonitrile Formula: C20H12F3N3O3S MolecularWeight: 431.38779

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C(=C(S3)NC4=CC=CC(=C4)C(F)(F)F)C#N)N

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)C(=O)C3=C(C(=C(S3)NC4=CC=CC(=C4)C(F)(F)F)C#N)N

InChI

InChI=1S/C20H12F3N3O3S/c21-20(22,23)11-2-1-3-12(7-11)26-19-13(8-24)16(25)18(30-19)17(27)10-4-5-14-15(6-10)29-9-28-14/h1-7,26H,9,25H2