5-(4-ethoxyphenyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine

Systemtic Name: 5-(4-ethoxyphenyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-ethoxyphenyl)-2-(2-thienyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(4-ethoxyphenyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(4-ethoxyphenyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-p-phenetyl-2-(2-thienyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C24H19N3OS MolecularWeight: 397.49216

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=CS5

InChI

InChI=1S/C24H19N3OS/c1-2-28-18-12-9-17(10-13-18)22-20-14-11-16-6-3-4-7-19(16)23(20)25-24(27-26-22)21-8-5-15-29-21/h3-15,26H,2H2,1H3