3-chloranyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-fluorophenyl)-5-benzotriazolyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-fluorophenyl)benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C21H11ClFN5O3S MolecularWeight: 467.860143

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

Isomeric SMILES

C1=CC2=C(C(=C1)[N+](=O)[O-])SC(=C2Cl)C(=O)NC3=CC4=NN(N=C4C=C3)C5=CC=C(C=C5)F

InChI

InChI=1S/C21H11ClFN5O3S/c22-18-14-2-1-3-17(28(30)31)19(14)32-20(18)21(29)24-12-6-9-15-16(10-12)26-27(25-15)13-7-4-11(23)5-8-13/h1-10H,(H,24,29)