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

Systemtic Name: 5-(4-methylphenyl)-2-thiophen-2-yl-7-(trifluoromethyloxy)-4H-1,3,4-benzotriazepine Openeye Name: 5-(p-tolyl)-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-methylphenyl)-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-methylphenyl)-2-thiophen-2-yl-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Traditional Name: 5-(p-tolyl)-2-(2-thienyl)-7-(trifluoromethoxy)-4H-1,3,4-benzotriazepine Formula: C20H14F3N3OS MolecularWeight: 401.40487

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC(F)(F)F

Isomeric SMILES

CC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)OC(F)(F)F

InChI

InChI=1S/C20H14F3N3OS/c1-12-4-6-13(7-5-12)18-15-11-14(27-20(21,22)23)8-9-16(15)24-19(26-25-18)17-3-2-10-28-17/h2-11,25H,1H3