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

Systemtic Name: 7-ethoxy-5-(4-propoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-ethoxy-5-(4-propoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-ethoxy-5-(4-propoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-ethoxy-5-(4-propoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-ethoxy-5-(4-propoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C23H23N3O2S MolecularWeight: 405.51262

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OCC

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OCC

InChI

InChI=1S/C23H23N3O2S/c1-3-13-28-17-9-7-16(8-10-17)22-19-15-18(27-4-2)11-12-20(19)24-23(26-25-22)21-6-5-14-29-21/h5-12,14-15,25H,3-4,13H2,1-2H3