5-(4-butoxyphenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 5-(4-butoxyphenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethoxy-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethoxy-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C24H25N3O2S MolecularWeight: 419.5392

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OCC

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OCC

InChI

InChI=1S/C24H25N3O2S/c1-3-5-14-29-18-10-8-17(9-11-18)23-20-16-19(28-4-2)12-13-21(20)25-24(27-26-23)22-7-6-15-30-22/h6-13,15-16,26H,3-5,14H2,1-2H3