2-pyridin-4-yl-4-thiophen-2-yl-8-(trifluoromethyloxy)-1H-1,3,5-benzotriazepine

Systemtic Name: 2-pyridin-4-yl-4-thiophen-2-yl-8-(trifluoromethyloxy)-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-pyridyl)-4-(2-thienyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine CAS Name: 2-pyridin-4-yl-4-thiophen-2-yl-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine IUPAC Name: 2-pyridin-4-yl-4-thiophen-2-yl-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-pyridyl)-4-(2-thienyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Formula: C18H11F3N4OS MolecularWeight: 388.36635

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)NC(=N2)C4=CC=NC=C4

Isomeric SMILES

C1=CSC(=C1)C2=NC3=C(C=C(C=C3)OC(F)(F)F)NC(=N2)C4=CC=NC=C4

InChI

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