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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=CC4=CC=CC=C43)C5=CC=CS5

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=CC4=CC=CC=C43)C5=CC=CS5

InChI

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