3-[6-hexylsulfanyl-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]propanenitrile

Systemtic Name: 3-[6-hexylsulfanyl-3,5-bis(oxidanylidene)-1,2,4-triazin-2-yl]propanenitrile Openeye Name: 3-(6-hexylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile CAS Name: 3-[6-(hexylthio)-3,5-dioxo-1,2,4-triazin-2-yl]propanenitrile IUPAC Name: 3-(6-hexylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile Traditional Name: 3-[6-(hexylthio)-3,5-diketo-1,2,4-triazin-2-yl]propionitrile Formula: C12H18N4O2S MolecularWeight: 282.36192

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCSC1=NN(C(=O)NC1=O)CCC#N

Isomeric SMILES

CCCCCCSC1=NN(C(=O)NC1=O)CCC#N

InChI

InChI=1S/C12H18N4O2S/c1-2-3-4-5-9-19-11-10(17)14-12(18)16(15-11)8-6-7-13/h2-6,8-9H2,1H3,(H,14,17,18)