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

Systemtic Name: 5-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(3,4-dimethoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(3,4-dimethoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(3,4-dimethoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C20H17N3O2S MolecularWeight: 363.43288

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=CS4)OC

Isomeric SMILES

COC1=C(C=C(C=C1)C2=C3C=CC=CC3=NC(=NN2)C4=CC=CS4)OC

InChI

InChI=1S/C20H17N3O2S/c1-24-16-10-9-13(12-17(16)25-2)19-14-6-3-4-7-15(14)21-20(23-22-19)18-8-5-11-26-18/h3-12,22H,1-2H3