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

Systemtic Name: 7-fluoranyl-5-(4-nitrophenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Openeye Name: 7-fluoro-5-(4-nitrophenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine CAS Name: 7-fluoro-5-(4-nitrophenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine IUPAC Name: 7-fluoro-5-(4-nitrophenyl)-2-thiophen-2-yl-4H-1,3,4-benzotriazepine Traditional Name: 7-fluoro-5-(4-nitrophenyl)-2-(2-thienyl)-4H-1,3,4-benzotriazepine Formula: C18H11FN4O2S MolecularWeight: 366.368943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NNC(=C3C=C(C=CC3=N2)F)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H11FN4O2S/c19-12-5-8-15-14(10-12)17(11-3-6-13(7-4-11)23(24)25)21-22-18(20-15)16-2-1-9-26-16/h1-10,21H