N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Openeye Name: N-[4-[3-(2-methoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[3-(2-methoxyethoxy)-5-thiophen-2-yl-1,2,4-triazol-1-yl]phenyl]-3-nitrobenzamide Traditional Name: N-[4-[3-(2-methoxyethoxy)-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Formula: C22H19N5O5S MolecularWeight: 465.48176

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Descriptors Computed from Structure

Canonical SMILES:

COCCOC1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

COCCOC1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H19N5O5S/c1-31-11-12-32-22-24-20(19-6-3-13-33-19)26(25-22)17-9-7-16(8-10-17)23-21(28)15-4-2-5-18(14-15)27(29)30/h2-10,13-14H,11-12H2,1H3,(H,23,28)