2-(4-tert-butylphenyl)-7-fluoranyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-tert-butylphenyl)-7-fluoranyl-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-tert-butylphenyl)-7-fluoro-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-tert-butylphenyl)-7-fluoro-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-tert-butylphenyl)-7-fluoro-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-tert-butylphenyl)-7-fluoro-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H20FN3S MolecularWeight: 377.477703

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=CS4

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=CS4

InChI

InChI=1S/C22H20FN3S/c1-22(2,3)15-8-6-14(7-9-15)21-24-18-11-10-16(23)13-17(18)20(25-26-21)19-5-4-12-27-19/h4-13,25H,1-3H3