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

Systemtic Name: 7-fluoranyl-5-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-(4-methoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-(4-methoxyphenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-(4-methoxyphenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C19H14FN3OS MolecularWeight: 351.397363

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F

Isomeric SMILES

COC1=CC=C(C=C1)C2=C3C=C(C=CC3=NC(=NN2)C4=CC=CS4)F

InChI

InChI=1S/C19H14FN3OS/c1-24-14-7-4-12(5-8-14)18-15-11-13(20)6-9-16(15)21-19(23-22-18)17-3-2-10-25-17/h2-11,22H,1H3