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

Systemtic Name: 5-(4-butoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-ethyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-ethyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C24H25N3OS MolecularWeight: 403.5398

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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)CC

Isomeric SMILES

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

InChI

InChI=1S/C24H25N3OS/c1-3-5-14-28-19-11-9-18(10-12-19)23-20-16-17(4-2)8-13-21(20)25-24(27-26-23)22-7-6-15-29-22/h6-13,15-16,26H,3-5,14H2,1-2H3