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

Systemtic Name: 7-fluoranyl-5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C25H18FN3OS MolecularWeight: 427.493323

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=CS5)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=CC=C(C=C2)C3=C4C=C(C=CC4=NC(=NN3)C5=CC=CS5)F

InChI

InChI=1S/C25H18FN3OS/c1-30-20-11-8-17(9-12-20)16-4-6-18(7-5-16)24-21-15-19(26)10-13-22(21)27-25(29-28-24)23-3-2-14-31-23/h2-15,28H,1H3