3-chloranyl-N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-7-nitro-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-N-(6-chloranyl-2-phenyl-benzotriazol-5-yl)-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-(6-chloro-2-phenyl-benzotriazol-5-yl)-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-(6-chloro-2-phenyl-5-benzotriazolyl)-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-(6-chloro-2-phenylbenzotriazol-5-yl)-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-(6-chloro-2-phenyl-benzotriazol-5-yl)-7-nitro-benzothiophene-2-carboxamide Formula: C21H11Cl2N5O3S MolecularWeight: 484.31474

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C(C=C1)N2N=C3C=C(C(=CC3=N2)Cl)NC(=O)C4=C(C5=C(S4)C(=CC=C5)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H11Cl2N5O3S/c22-13-9-15-16(26-27(25-15)11-5-2-1-3-6-11)10-14(13)24-21(29)20-18(23)12-7-4-8-17(28(30)31)19(12)32-20/h1-10H,(H,24,29)