2-[4-(4-iodophenyl)sulfanyl-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[4-(4-iodophenyl)sulfanyl-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[4-(4-iodophenyl)sulfanyl-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[4-[(4-iodophenyl)thio]-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[4-(4-iodophenyl)sulfanyl-3,5-dimethylphenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[4-[(4-iodophenyl)thio]-3,5-dimethyl-phenyl]-1,2,4-triazine-3,5-quinone Formula: C17H14IN3O2S MolecularWeight: 451.28143

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SC2=CC=C(C=C2)I)C)N3C(=O)NC(=O)C=N3

Isomeric SMILES

CC1=CC(=CC(=C1SC2=CC=C(C=C2)I)C)N3C(=O)NC(=O)C=N3

InChI

InChI=1S/C17H14IN3O2S/c1-10-7-13(21-17(23)20-15(22)9-19-21)8-11(2)16(10)24-14-5-3-12(18)4-6-14/h3-9H,1-2H3,(H,20,22,23)