4-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one hydrate

Systemtic Name: 4-(4-chloranyl-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one hydrate Openeye Name: 4-(4-chloro-5-methyl-2-sulfanyl-phenyl)sulfonyl-1,2,4-triazinan-3-one hydrate CAS Name: 4-(4-chloro-2-mercapto-5-methylphenyl)sulfonyl-1,2,4-triazinan-3-one hydrate IUPAC Name: 4-(4-chloro-5-methyl-2-sulfanylphenyl)sulfonyl-1,2,4-triazinan-3-one hydrate Traditional Name: 4-(4-chloro-2-mercapto-5-methyl-phenyl)sulfonyl-1,2,4-triazinan-3-one hydrate Formula: C10H14ClN3O4S2 MolecularWeight: 339.81886

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N2CCNNC2=O.O

Isomeric SMILES

CC1=CC(=C(C=C1Cl)S)S(=O)(=O)N2CCNNC2=O.O

InChI

InChI=1S/C10H12ClN3O3S2.H2O/c1-6-4-9(8(18)5-7(6)11)19(16,17)14-3-2-12-13-10(14)15;/h4-5,12,18H,2-3H2,1H3,(H,13,15);1H2