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

Systemtic Name: 2-(4-propoxyphenyl)-4-thiophen-2-yl-8-(trifluoromethyloxy)-1H-1,3,5-benzotriazepine Openeye Name: 2-(4-propoxyphenyl)-4-(2-thienyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine CAS Name: 2-(4-propoxyphenyl)-4-thiophen-2-yl-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine IUPAC Name: 2-(4-propoxyphenyl)-4-thiophen-2-yl-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Traditional Name: 2-(4-propoxyphenyl)-4-(2-thienyl)-8-(trifluoromethoxy)-1H-1,3,5-benzotriazepine Formula: C22H18F3N3O2S MolecularWeight: 445.45743

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Descriptors Computed from Structure

Canonical SMILES:

CCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC(F)(F)F)C4=CC=CS4

Isomeric SMILES

CCCOC1=CC=C(C=C1)C2=NC(=NC3=C(N2)C=C(C=C3)OC(F)(F)F)C4=CC=CS4

InChI

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