2-(4-fluorophenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine

Systemtic Name: 2-(4-fluorophenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 2-(4-fluorophenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 2-(4-fluorophenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 2-(4-fluorophenyl)-5-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 2-(4-fluorophenyl)-5-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C18H12FN3S MolecularWeight: 321.371383

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=CS4

Isomeric SMILES

C1=CC2=C(NN=C(N=C2C=C1)C3=CC=C(C=C3)F)C4=CC=CS4

InChI

InChI=1S/C18H12FN3S/c19-13-9-7-12(8-10-13)18-20-15-5-2-1-4-14(15)17(21-22-18)16-6-3-11-23-16/h1-11,21H