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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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