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

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

Systemtic Name:5-(3,4-diethoxyphenyl)-7-fluoranyl-2-thiophen-2-yl-4H-1,3,4-benzotriazepine
Openeye Name:5-(3,4-diethoxyphenyl)-7-fluoro-2-(2-thienyl)-4H-1,3,4-benzotriazepine
CAS Name:5-(3,4-diethoxyphenyl)-7-fluoro-2-thiophen-2-yl-4H-1,3,4-benzotriazepine
IUPAC Name:5-(3,4-diethoxyphenyl)-7-fluoro-2-thiophen-2-yl-4H-1,3,4-benzotriazepine
Traditional Name:5-(3,4-diethoxyphenyl)-7-fluoro-2-(2-thienyl)-4H-1,3,4-benzotriazepine
Formula: C22H20FN3O2S
MolecularWeight: 409.476503
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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F)OCC


Isomeric SMILES

CCOC1=C(C=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F)OCC


InChI

InChI=1S/C22H20FN3O2S/c1-3-27-18-10-7-14(12-19(18)28-4-2)21-16-13-15(23)8-9-17(16)24-22(26-25-21)20-6-5-11-29-20/h5-13,25H,3-4H2,1-2H3


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