3-ethanoyl-1-(4-iodophenyl)-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-6-one

Systemtic Name: 3-ethanoyl-1-(4-iodophenyl)-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-6-one Openeye Name: 3-acetyl-5-benzyl-1-(4-iodophenyl)-2,5-dihydro-1,2,4-triazin-6-one CAS Name: 3-acetyl-1-(4-iodophenyl)-5-(phenylmethyl)-2,5-dihydro-1,2,4-triazin-6-one IUPAC Name: 3-acetyl-5-benzyl-1-(4-iodophenyl)-2,5-dihydro-1,2,4-triazin-6-one Traditional Name: 3-acetyl-5-benzyl-1-(4-iodophenyl)-2,5-dihydro-1,2,4-triazin-6-one Formula: C18H16IN3O2 MolecularWeight: 433.24301

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=NC(C(=O)N(N1)C2=CC=C(C=C2)I)CC3=CC=CC=C3

Isomeric SMILES

CC(=O)C1=NC(C(=O)N(N1)C2=CC=C(C=C2)I)CC3=CC=CC=C3

InChI

InChI=1S/C18H16IN3O2/c1-12(23)17-20-16(11-13-5-3-2-4-6-13)18(24)22(21-17)15-9-7-14(19)8-10-15/h2-10,16H,11H2,1H3,(H,20,21)