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

Systemtic Name: N-[3-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-methyl-benzamide Openeye Name: N-[3-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-4-methyl-benzamide CAS Name: N-[3-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-methylbenzamide IUPAC Name: N-[3-(3-ethoxy-5-thiophen-2-yl-1,2,4-triazol-1-yl)phenyl]-4-methylbenzamide Traditional Name: N-[3-[3-ethoxy-5-(2-thienyl)-1,2,4-triazol-1-yl]phenyl]-4-methyl-benzamide Formula: C22H20N4O2S MolecularWeight: 404.4848

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC1=NN(C(=N1)C2=CC=CS2)C3=CC(=CC=C3)NC(=O)C4=CC=C(C=C4)C

InChI

InChI=1S/C22H20N4O2S/c1-3-28-22-24-20(19-8-5-13-29-19)26(25-22)18-7-4-6-17(14-18)23-21(27)16-11-9-15(2)10-12-16/h4-14H,3H2,1-2H3,(H,23,27)