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

Systemtic Name: 3-[3,5-bis(oxidanylidene)-6-phenylsulfanyl-1,2,4-triazin-2-yl]propanenitrile Openeye Name: 3-(3,5-dioxo-6-phenylsulfanyl-1,2,4-triazin-2-yl)propanenitrile CAS Name: 3-[3,5-dioxo-6-(phenylthio)-1,2,4-triazin-2-yl]propanenitrile IUPAC Name: 3-(3,5-dioxo-6-phenylsulfanyl-1,2,4-triazin-2-yl)propanenitrile Traditional Name: 3-[3,5-diketo-6-(phenylthio)-1,2,4-triazin-2-yl]propionitrile Formula: C12H10N4O2S MolecularWeight: 274.2984

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)SC2=NN(C(=O)NC2=O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)SC2=NN(C(=O)NC2=O)CCC#N

InChI

InChI=1S/C12H10N4O2S/c13-7-4-8-16-12(18)14-10(17)11(15-16)19-9-5-2-1-3-6-9/h1-3,5-6H,4,8H2,(H,14,17,18)