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

Systemtic Name: 5-(4-butoxyphenyl)-7-fluoranyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 5-(4-butoxyphenyl)-7-fluoro-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 5-(4-butoxyphenyl)-7-fluoro-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 5-(4-butoxyphenyl)-7-fluoro-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 5-(4-butoxyphenyl)-7-fluoro-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C22H20FN3OS MolecularWeight: 393.477103

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F

InChI

InChI=1S/C22H20FN3OS/c1-2-3-12-27-17-9-6-15(7-10-17)21-18-14-16(23)8-11-19(18)24-22(26-25-21)20-5-4-13-28-20/h4-11,13-14,25H,2-3,12H2,1H3