2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine

Systemtic Name: 2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Openeye Name: 2-(2-thienyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine CAS Name: 2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine IUPAC Name: 2-thiophen-2-yl-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Traditional Name: 2-(2-thienyl)-5-[4-(trifluoromethyl)phenyl]-4H-1,3,4-benzotriazepine Formula: C19H12F3N3S MolecularWeight: 371.37889

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)C(F)(F)F

Isomeric SMILES

C1=CC2=C(NN=C(N=C2C=C1)C3=CC=CS3)C4=CC=C(C=C4)C(F)(F)F

InChI

InChI=1S/C19H12F3N3S/c20-19(21,22)13-9-7-12(8-10-13)17-14-4-1-2-5-15(14)23-18(25-24-17)16-6-3-11-26-16/h1-11,24H