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

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

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)NC(=NC(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)NC(=NC(=N2)C3=CC=C(C=C3)C(F)(F)F)C4=CC=CS4

InChI

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