7-bromanyl-2-(4-ethoxyphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 7-bromanyl-2-(4-ethoxyphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-bromo-2-(4-ethoxyphenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-bromo-2-(4-ethoxyphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-bromo-2-(4-ethoxyphenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-bromo-2-p-phenetyl-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H16BrN3OS MolecularWeight: 426.32954

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)Br)C4=CC=CS4

InChI

InChI=1S/C20H16BrN3OS/c1-2-25-15-8-5-13(6-9-15)20-22-17-10-7-14(21)12-16(17)19(23-24-20)18-4-3-11-26-18/h3-12,23H,2H2,1H3