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

Systemtic Name: 8-fluoranyl-2-(4-nitrophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Openeye Name: 8-fluoro-2-(4-nitrophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine CAS Name: 8-fluoro-2-(4-nitrophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine IUPAC Name: 8-fluoro-2-(4-nitrophenyl)-4-thiophen-2-yl-1H-1,3,5-benzotriazepine Traditional Name: 8-fluoro-2-(4-nitrophenyl)-4-(2-thienyl)-1H-1,3,5-benzotriazepine Formula: C18H11FN4O2S MolecularWeight: 366.368943

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Descriptors Computed from Structure

Canonical SMILES:

C1=CSC(=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CSC(=C1)C2=NC3=C(C=C(C=C3)F)NC(=N2)C4=CC=C(C=C4)[N+](=O)[O-]

InChI

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