3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine chloride

Systemtic Name: 3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine chloride Openeye Name: 3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine chloride CAS Name: 3-tert-butyl-6-[(4-chlorophenyl)methylthio]-2,4-dihydro-1H-1,3,5-triazine chloride IUPAC Name: 3-tert-butyl-6-[(4-chlorophenyl)methylsulfanyl]-2,4-dihydro-1H-1,3,5-triazine chloride Traditional Name: 3-tert-butyl-6-[(4-chlorobenzyl)thio]-2,4-dihydro-1H-s-triazine chloride Formula: C14H20Cl2N3S- MolecularWeight: 333.2997

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1CNC(=NC1)SCC2=CC=C(C=C2)Cl.[Cl-]

Isomeric SMILES

CC(C)(C)N1CNC(=NC1)SCC2=CC=C(C=C2)Cl.[Cl-]

InChI

InChI=1S/C14H20ClN3S.ClH/c1-14(2,3)18-9-16-13(17-10-18)19-8-11-4-6-12(15)7-5-11;/h4-7H,8-10H2,1-3H3,(H,16,17);1H/p-1