5-(4-ethoxyphenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole

Systemtic Name: 5-(4-ethoxyphenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole Openeye Name: 5-(4-ethoxyphenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole CAS Name: 5-(4-ethoxyphenyl)-3-[3-(1-pyrrolylmethyl)phenyl]-1H-1,2,4-triazole IUPAC Name: 5-(4-ethoxyphenyl)-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole Traditional Name: 5-p-phenetyl-3-[3-(pyrrol-1-ylmethyl)phenyl]-1H-1,2,4-triazole Formula: C21H20N4O MolecularWeight: 344.4097

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4C=CC=C4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NC(=NN2)C3=CC(=CC=C3)CN4C=CC=C4

InChI

InChI=1S/C21H20N4O/c1-2-26-19-10-8-17(9-11-19)20-22-21(24-23-20)18-7-5-6-16(14-18)15-25-12-3-4-13-25/h3-14H,2,15H2,1H3,(H,22,23,24)