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

Systemtic Name: 5-pyridin-4-yl-2-thiophen-2-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-pyridyl)-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 5-pyridin-4-yl-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 5-pyridin-4-yl-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-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=CSC(=C1)C2=NNC(=C3C=C(C=CC3=N2)OC(F)(F)F)C4=CC=NC=C4

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=C3C=C(C=CC3=N2)OC(F)(F)F)C4=CC=NC=C4

InChI

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