6-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate

Systemtic Name: 6-[2-[(3-cyanophenyl)amino]-2-oxidanylidene-ethyl]sulfanyl-5-oxidanylidene-2H-1,2,4-triazin-3-olate Openeye Name: 6-[2-(3-cyanoanilino)-2-oxo-ethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate CAS Name: 6-[[2-(3-cyanoanilino)-2-oxoethyl]thio]-5-oxo-2H-1,2,4-triazin-3-olate IUPAC Name: 6-[2-(3-cyanoanilino)-2-oxoethyl]sulfanyl-5-oxo-2H-1,2,4-triazin-3-olate Traditional Name: 6-[[2-(3-cyanoanilino)-2-keto-ethyl]thio]-5-keto-2H-1,2,4-triazin-3-olate Formula: C12H8N5O3S- MolecularWeight: 302.28862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=NC2=O)[O-])C#N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CSC2=NNC(=NC2=O)[O-])C#N

InChI

InChI=1S/C12H9N5O3S/c13-5-7-2-1-3-8(4-7)14-9(18)6-21-11-10(19)15-12(20)17-16-11/h1-4H,6H2,(H,14,18)(H2,15,17,19,20)/p-1