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

Systemtic Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-5-(4-ethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-5-p-phenetyl-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H21N3O2S MolecularWeight: 391.48604

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OCC

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OCC

InChI

InChI=1S/C22H21N3O2S/c1-3-26-16-9-7-15(8-10-16)21-18-14-17(27-4-2)11-12-19(18)23-22(25-24-21)20-6-5-13-28-20/h5-14,24H,3-4H2,1-2H3