3-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate

Systemtic Name: 3-[2-[(3-cyano-4,5-dimethyl-thiophen-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Openeye Name: 3-[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-oxo-ethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate CAS Name: 3-[[2-[(3-cyano-4,5-dimethyl-2-thiophenyl)amino]-2-oxoethyl]thio]-6-methyl-1,2,4-triazin-5-olate IUPAC Name: 3-[2-[(3-cyano-4,5-dimethylthiophen-2-yl)amino]-2-oxoethyl]sulfanyl-6-methyl-1,2,4-triazin-5-olate Traditional Name: 3-[[2-[(3-cyano-4,5-dimethyl-2-thienyl)amino]-2-keto-ethyl]thio]-6-methyl-1,2,4-triazin-5-olate Formula: C13H12N5O2S2- MolecularWeight: 334.39668

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=C(N=N2)C)[O-])C

Isomeric SMILES

CC1=C(SC(=C1C#N)NC(=O)CSC2=NC(=C(N=N2)C)[O-])C

InChI

InChI=1S/C13H13N5O2S2/c1-6-8(3)22-12(9(6)4-14)15-10(19)5-21-13-16-11(20)7(2)17-18-13/h5H2,1-3H3,(H,15,19)(H,16,18,20)/p-1