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

Systemtic Name: 5-(4-propoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-propoxyphenyl)-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-propoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-propoxyphenyl)-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-propoxyphenyl)-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC(F)(F)F

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC(F)(F)F

InChI

InChI=1S/C22H18F3N3O2S/c1-2-11-29-15-7-5-14(6-8-15)20-17-13-16(30-22(23,24)25)9-10-18(17)26-21(28-27-20)19-4-3-12-31-19/h3-10,12-13,27H,2,11H2,1H3