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

Systemtic Name: 3-[3,5-bis(oxidanylidene)-6-(phenylmethylsulfanyl)-1,2,4-triazin-2-yl]propanenitrile Openeye Name: 3-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile CAS Name: 3-[3,5-dioxo-6-(phenylmethylthio)-1,2,4-triazin-2-yl]propanenitrile IUPAC Name: 3-(6-benzylsulfanyl-3,5-dioxo-1,2,4-triazin-2-yl)propanenitrile Traditional Name: 3-[6-(benzylthio)-3,5-diketo-1,2,4-triazin-2-yl]propionitrile Formula: C13H12N4O2S MolecularWeight: 288.32498

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=O)CCC#N

Isomeric SMILES

C1=CC=C(C=C1)CSC2=NN(C(=O)NC2=O)CCC#N

InChI

InChI=1S/C13H12N4O2S/c14-7-4-8-17-13(19)15-11(18)12(16-17)20-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,15,18,19)