5-phenyl-2-thiophen-2-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine

Systemtic Name: 5-phenyl-2-thiophen-2-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 5-phenyl-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 5-phenyl-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 5-phenyl-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 5-phenyl-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C19H12F3N3OS MolecularWeight: 387.37829

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H12F3N3OS/c20-19(21,22)26-13-8-9-15-14(11-13)17(12-5-2-1-3-6-12)24-25-18(23-15)16-7-4-10-27-16/h1-11,24H