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

Systemtic Name: 5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-[4-(4-methoxyphenyl)phenyl]-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-[4-(4-methoxyphenyl)phenyl]-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C25H19N3OS MolecularWeight: 409.50286

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19N3OS/c1-29-20-14-12-18(13-15-20)17-8-10-19(11-9-17)24-21-5-2-3-6-22(21)26-25(28-27-24)23-7-4-16-30-23/h2-16,27H,1H3