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

Systemtic Name: 4-(4-ethoxyphenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 4-(4-ethoxyphenyl)-2-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 4-(4-ethoxyphenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 4-(4-ethoxyphenyl)-2-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 4-p-phenetyl-2-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C20H17N3OS MolecularWeight: 347.43348

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=CS4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC3=CC=CC=C3NC(=N2)C4=CC=CS4

InChI

InChI=1S/C20H17N3OS/c1-2-24-15-11-9-14(10-12-15)19-21-16-6-3-4-7-17(16)22-20(23-19)18-8-5-13-25-18/h3-13H,2H2,1H3,(H,21,22,23)