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

Systemtic Name: 3-[3,5-bis(oxidanylidene)-6-prop-2-enylsulfanyl-1,2,4-triazin-2-yl]propanenitrile Openeye Name: 3-(6-allylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile CAS Name: 3-[3,5-dioxo-6-(prop-2-enylthio)-1,2,4-triazin-2-yl]propanenitrile IUPAC Name: 3-(3,5-dioxo-6-prop-2-enylsulfanyl-1,2,4-triazin-2-yl)propanenitrile Traditional Name: 3-[6-(allylthio)-3,5-diketo-1,2,4-triazin-2-yl]propionitrile Formula: C9H10N4O2S MolecularWeight: 238.2663

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Descriptors Computed from Structure

Canonical SMILES:

C=CCSC1=NN(C(=O)NC1=O)CCC#N

Isomeric SMILES

C=CCSC1=NN(C(=O)NC1=O)CCC#N

InChI

InChI=1S/C9H10N4O2S/c1-2-6-16-8-7(14)11-9(15)13(12-8)5-3-4-10/h2H,1,3,5-6H2,(H,11,14,15)