2-[(4-iodophenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one

Systemtic Name: 2-[(4-iodophenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Openeye Name: 2-[(4-iodophenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one CAS Name: 2-[(4-iodophenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one IUPAC Name: 2-[(4-iodophenyl)methyl]-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Traditional Name: 2-(4-iodobenzyl)-4-[4-(methylaminomethyl)phenyl]-1,2,4-triazol-3-one Formula: C17H17IN4O MolecularWeight: 420.24755

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Descriptors Computed from Structure

Canonical SMILES:

CNCC1=CC=C(C=C1)N2C=NN(C2=O)CC3=CC=C(C=C3)I

Isomeric SMILES

CNCC1=CC=C(C=C1)N2C=NN(C2=O)CC3=CC=C(C=C3)I

InChI

InChI=1S/C17H17IN4O/c1-19-10-13-4-8-16(9-5-13)21-12-20-22(17(21)23)11-14-2-6-15(18)7-3-14/h2-9,12,19H,10-11H2,1H3