(4-chlorophenyl)methyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azanium

Systemtic Name: (4-chlorophenyl)methyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azanium Openeye Name: (4-chlorophenyl)methyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium CAS Name: (4-chlorophenyl)methyl-[(3S)-6-methyl-3-(methylthio)-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium IUPAC Name: (4-chlorophenyl)methyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]azanium Traditional Name: (4-chlorobenzyl)-[(3S)-5-keto-6-methyl-3-(methylthio)-2,4-dihydro-1,2,4-triazin-3-yl]ammonium Formula: C12H16ClN4OS+ MolecularWeight: 299.79964

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(NC1=O)([NH2+]CC2=CC=C(C=C2)Cl)SC

Isomeric SMILES

CC1=NN[C@](NC1=O)([NH2+]CC2=CC=C(C=C2)Cl)SC

InChI

InChI=1S/C12H15ClN4OS/c1-8-11(18)15-12(19-2,17-16-8)14-7-9-3-5-10(13)6-4-9/h3-6,14,17H,7H2,1-2H3,(H,15,18)/p+1/t12-/m1/s1