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

Systemtic Name: 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 5-(3-pyridyl)-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 5-(3-pyridinyl)-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 5-pyridin-3-yl-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 5-(3-pyridyl)-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C18H11F3N4OS MolecularWeight: 388.36635

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H11F3N4OS/c19-18(20,21)26-12-5-6-14-13(9-12)16(11-3-1-7-22-10-11)24-25-17(23-14)15-4-2-8-27-15/h1-10,24H