5-azanyl-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate

Systemtic Name: 5-azanyl-3-(2-oxidanylidene-2-phenylazanyl-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate Openeye Name: 5-amino-3-(2-anilino-2-oxo-ethyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate CAS Name: 5-amino-3-[(2-anilino-2-oxoethyl)thio]-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate IUPAC Name: 5-amino-3-(2-anilino-2-oxoethyl)sulfanyl-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate Traditional Name: 5-amino-3-[(2-anilino-2-keto-ethyl)thio]-[1,2,4]triazolo[4,3-a]pyrimidin-7-olate Formula: C13H11N6O2S- MolecularWeight: 315.33044

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CC(=N3)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)NC(=O)CSC2=NN=C3N2C(=CC(=N3)[O-])N

InChI

InChI=1S/C13H12N6O2S/c14-9-6-10(20)16-12-17-18-13(19(9)12)22-7-11(21)15-8-4-2-1-3-5-8/h1-6H,7,14H2,(H,15,21)(H,16,17,20)/p-1