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

Systemtic Name: 3-[3-oxidanylidene-6-(phenylmethylsulfanyl)-5-sulfanylidene-1,2,4-triazin-2-yl]propanenitrile Openeye Name: 3-(6-benzylsulfanyl-3-oxo-5-thioxo-1,2,4-triazin-2-yl)propanenitrile CAS Name: 3-[3-oxo-6-(phenylmethylthio)-5-sulfanylidene-1,2,4-triazin-2-yl]propanenitrile IUPAC Name: 3-(6-benzylsulfanyl-3-oxo-5-sulfanylidene-1,2,4-triazin-2-yl)propanenitrile Traditional Name: 3-[6-(benzylthio)-3-keto-5-thioxo-1,2,4-triazin-2-yl]propionitrile Formula: C13H12N4OS2 MolecularWeight: 304.39058

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H12N4OS2/c14-7-4-8-17-13(18)15-11(19)12(16-17)20-9-10-5-2-1-3-6-10/h1-3,5-6H,4,8-9H2,(H,15,18,19)