7-methoxy-2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 7-methoxy-2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 7-methoxy-2-(2-thienyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 7-methoxy-2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 7-methoxy-2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 7-methoxy-2-(2-thienyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C20H14F3N3OS MolecularWeight: 401.40487

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

COC1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C20H14F3N3OS/c1-27-14-8-9-16-15(11-14)18(12-4-6-13(7-5-12)20(21,22)23)25-26-19(24-16)17-3-2-10-28-17/h2-11,25H,1H3