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

Systemtic Name: N-[4-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[4-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide CAS Name: N-[4-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-3-nitrobenzamide IUPAC Name: N-[4-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[4-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-3-nitro-benzamide Formula: C21H17N5O4S MolecularWeight: 435.45578

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CS2)C3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H17N5O4S/c1-2-30-21-23-19(18-7-4-12-31-18)25(24-21)16-10-8-15(9-11-16)22-20(27)14-5-3-6-17(13-14)26(28)29/h3-13H,2H2,1H3,(H,22,27)