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

Systemtic Name: 3-chloranyl-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-ethoxyphenyl)-5-benzotriazolyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-ethoxyphenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-7-nitro-N-(2-p-phenetylbenzotriazol-5-yl)benzothiophene-2-carboxamide Formula: C23H16ClN5O4S MolecularWeight: 493.92224

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=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

CCOC1=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/C23H16ClN5O4S/c1-2-33-15-9-7-14(8-10-15)28-26-17-11-6-13(12-18(17)27-28)25-23(30)22-20(24)16-4-3-5-19(29(31)32)21(16)34-22/h3-12H,2H2,1H3,(H,25,30)