5-cyano-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate

Systemtic Name: 5-cyano-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxidanylidene-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate Openeye Name: 5-cyano-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxo-ethyl]sulfanyl-6-phenyl-pyrimidin-4-olate CAS Name: 5-cyano-2-[[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]thio]-6-phenyl-4-pyrimidinolate IUPAC Name: 5-cyano-2-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]-2-oxoethyl]sulfanyl-6-phenylpyrimidin-4-olate Traditional Name: 5-cyano-2-[[2-keto-2-[(5-methyl-1,3,4-thiadiazol-2-yl)amino]ethyl]thio]-6-phenyl-pyrimidin-4-olate Formula: C16H11N6O2S2- MolecularWeight: 383.42754

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

Isomeric SMILES

CC1=NN=C(S1)NC(=O)CSC2=NC(=C(C(=N2)[O-])C#N)C3=CC=CC=C3

InChI

InChI=1S/C16H12N6O2S2/c1-9-21-22-16(26-9)18-12(23)8-25-15-19-13(10-5-3-2-4-6-10)11(7-17)14(24)20-15/h2-6H,8H2,1H3,(H,18,22,23)(H,19,20,24)/p-1