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

Systemtic Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxidanylidene-2,4-dihydro-1,2,4-triazin-3-yl]azanium Openeye Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium CAS Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-6-methyl-3-(methylthio)-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]ammonium IUPAC Name: 1,3-benzodioxol-5-ylmethyl-[(3S)-6-methyl-3-methylsulfanyl-5-oxo-2,4-dihydro-1,2,4-triazin-3-yl]azanium Traditional Name: [(3S)-5-keto-6-methyl-3-(methylthio)-2,4-dihydro-1,2,4-triazin-3-yl]-piperonyl-ammonium Formula: C13H17N4O3S+ MolecularWeight: 309.36408

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NNC(NC1=O)([NH2+]CC2=CC3=C(C=C2)OCO3)SC

Isomeric SMILES

CC1=NN[C@](NC1=O)([NH2+]CC2=CC3=C(C=C2)OCO3)SC

InChI

InChI=1S/C13H16N4O3S/c1-8-12(18)15-13(21-2,17-16-8)14-6-9-3-4-10-11(5-9)20-7-19-10/h3-5,14,17H,6-7H2,1-2H3,(H,15,18)/p+1/t13-/m1/s1