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

Systemtic Name: cycloheptyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azanium Openeye Name: cycloheptyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium CAS Name: cycloheptyl-[(3S)-6-methyl-3-(methylthio)-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium IUPAC Name: cycloheptyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]azanium Traditional Name: cycloheptyl-[(3S)-5-keto-6-methyl-3-(methylthio)-2,4-dihydro-1,2,4-triazin-3-yl]ammonium Formula: C12H23N4OS+ MolecularWeight: 271.40222

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(NC1=O)([NH2+]C2CCCCCC2)SC

Isomeric SMILES

CC1=NN[C@](NC1=O)([NH2+]C2CCCCCC2)SC

InChI

InChI=1S/C12H22N4OS/c1-9-11(17)14-12(18-2,16-15-9)13-10-7-5-3-4-6-8-10/h10,13,16H,3-8H2,1-2H3,(H,14,17)/p+1/t12-/m1/s1