2-[4-(4-tert-butylphenyl)sulfanyl-3-chloranyl-phenyl]-1,2,4-triazine-3,5-dione

Systemtic Name: 2-[4-(4-tert-butylphenyl)sulfanyl-3-chloranyl-phenyl]-1,2,4-triazine-3,5-dione Openeye Name: 2-[4-(4-tert-butylphenyl)sulfanyl-3-chloro-phenyl]-1,2,4-triazine-3,5-dione CAS Name: 2-[4-[(4-tert-butylphenyl)thio]-3-chlorophenyl]-1,2,4-triazine-3,5-dione IUPAC Name: 2-[4-(4-tert-butylphenyl)sulfanyl-3-chlorophenyl]-1,2,4-triazine-3,5-dione Traditional Name: 2-[4-[(4-tert-butylphenyl)thio]-3-chloro-phenyl]-1,2,4-triazine-3,5-quinone Formula: C19H18ClN3O2S MolecularWeight: 387.88312

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SC2=C(C=C(C=C2)N3C(=O)NC(=O)C=N3)Cl

InChI

InChI=1S/C19H18ClN3O2S/c1-19(2,3)12-4-7-14(8-5-12)26-16-9-6-13(10-15(16)20)23-18(25)22-17(24)11-21-23/h4-11H,1-3H3,(H,22,24,25)