3-chloranyl-7-nitro-N-(2-phenylbenzotriazol-5-yl)-1-benzothiophene-2-carboxamide

Systemtic Name: 3-chloranyl-7-nitro-N-(2-phenylbenzotriazol-5-yl)-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-7-nitro-N-(2-phenylbenzotriazol-5-yl)benzothiophene-2-carboxamide CAS Name: 3-chloro-7-nitro-N-(2-phenyl-5-benzotriazolyl)-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-7-nitro-N-(2-phenylbenzotriazol-5-yl)-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(2-phenylbenzotriazol-5-yl)benzothiophene-2-carboxamide Formula: C21H12ClN5O3S MolecularWeight: 449.86968

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H12ClN5O3S/c22-18-14-7-4-8-17(27(29)30)19(14)31-20(18)21(28)23-12-9-10-15-16(11-12)25-26(24-15)13-5-2-1-3-6-13/h1-11H,(H,23,28)