2-[[[4-cyano-2-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-methylsulfanyl-pyrazol-3-yl]amino]-methylsulfanyl-methylidene]propanedinitrile

Systemtic Name: 2-[[[4-cyano-2-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-methylsulfanyl-pyrazol-3-yl]amino]-methylsulfanyl-methylidene]propanedinitrile Openeye Name: 2-[[[4-cyano-2-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-methylsulfanyl-pyrazol-3-yl]amino]-methylsulfanyl-methylene]propanedinitrile CAS Name: 2-[[[4-cyano-2-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-(methylthio)-3-pyrazolyl]amino]-(methylthio)methylidene]propanedinitrile IUPAC Name: 2-[[[4-cyano-2-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-methylsulfanylpyrazol-3-yl]amino]-methylsulfanylmethylidene]propanedinitrile Traditional Name: 2-[[[4-cyano-2-(5,6-diphenyl-1,2,4-triazin-3-yl)-5-(methylthio)pyrazol-3-yl]amino]-(methylthio)methylene]malononitrile Formula: C25H17N9S2 MolecularWeight: 507.59278

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Descriptors Computed from Structure

Canonical SMILES:

CSC1=NN(C(=C1C#N)NC(=C(C#N)C#N)SC)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CSC1=NN(C(=C1C#N)NC(=C(C#N)C#N)SC)C2=NC(=C(N=N2)C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C25H17N9S2/c1-35-23(18(13-26)14-27)30-22-19(15-28)24(36-2)33-34(22)25-29-20(16-9-5-3-6-10-16)21(31-32-25)17-11-7-4-8-12-17/h3-12,30H,1-2H3