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

Systemtic Name: 3-chloranyl-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-ethylphenyl)-5-benzotriazolyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-ethylphenyl)benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C23H16ClN5O3S MolecularWeight: 477.92284

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=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

CCC1=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/C23H16ClN5O3S/c1-2-13-6-9-15(10-7-13)28-26-17-11-8-14(12-18(17)27-28)25-23(30)22-20(24)16-4-3-5-19(29(31)32)21(16)33-22/h3-12H,2H2,1H3,(H,25,30)