1-[3-chloranyl-4-[(4-chlorophenyl)methylsulfanyl]-5-methyl-phenyl]-1,2,4-triazinan-3-one

Systemtic Name: 1-[3-chloranyl-4-[(4-chlorophenyl)methylsulfanyl]-5-methyl-phenyl]-1,2,4-triazinan-3-one Openeye Name: 1-[3-chloro-4-[(4-chlorophenyl)methylsulfanyl]-5-methyl-phenyl]-1,2,4-triazinan-3-one CAS Name: 1-[3-chloro-4-[(4-chlorophenyl)methylthio]-5-methylphenyl]-1,2,4-triazinan-3-one IUPAC Name: 1-[3-chloro-4-[(4-chlorophenyl)methylsulfanyl]-5-methylphenyl]-1,2,4-triazinan-3-one Traditional Name: 1-[3-chloro-4-[(4-chlorobenzyl)thio]-5-methyl-phenyl]-1,2,4-triazinan-3-one Formula: C17H17Cl2N3OS MolecularWeight: 382.30738

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1SCC2=CC=C(C=C2)Cl)Cl)N3CCNC(=O)N3

Isomeric SMILES

CC1=CC(=CC(=C1SCC2=CC=C(C=C2)Cl)Cl)N3CCNC(=O)N3

InChI

InChI=1S/C17H17Cl2N3OS/c1-11-8-14(22-7-6-20-17(23)21-22)9-15(19)16(11)24-10-12-2-4-13(18)5-3-12/h2-5,8-9H,6-7,10H2,1H3,(H2,20,21,23)