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

Systemtic Name: 3-chloranyl-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Openeye Name: 3-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide CAS Name: 3-chloro-N-[2-(4-methoxyphenyl)-5-benzotriazolyl]-7-nitro-1-benzothiophene-2-carboxamide IUPAC Name: 3-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-7-nitro-1-benzothiophene-2-carboxamide Traditional Name: 3-chloro-N-[2-(4-methoxyphenyl)benzotriazol-5-yl]-7-nitro-benzothiophene-2-carboxamide Formula: C22H14ClN5O4S MolecularWeight: 479.89566

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Descriptors Computed from Structure

Canonical SMILES:

COC1=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

COC1=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/C22H14ClN5O4S/c1-32-14-8-6-13(7-9-14)27-25-16-10-5-12(11-17(16)26-27)24-22(29)21-19(23)15-3-2-4-18(28(30)31)20(15)33-21/h2-11H,1H3,(H,24,29)