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

Systemtic Name: 5-(4-butoxyphenyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-2-(2-thienyl)-4H-benzo[i][1,3,4]benzotriazepine CAS Name: 5-(4-butoxyphenyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-2-thiophen-2-yl-4H-benzo[i][1,3,4]benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-2-(2-thienyl)-4H-benzo[i][1,3,4]benzotriazepine Formula: C26H23N3OS MolecularWeight: 425.54532

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=CS5

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=CC4=CC=CC=C4C3=NC(=NN2)C5=CC=CS5

InChI

InChI=1S/C26H23N3OS/c1-2-3-16-30-20-13-10-19(11-14-20)24-22-15-12-18-7-4-5-8-21(18)25(22)27-26(29-28-24)23-9-6-17-31-23/h4-15,17,28H,2-3,16H2,1H3