S-phenyl 5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbothioate

Systemtic Name: S-phenyl 5-methyl-7-oxidanylidene-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbothioate Openeye Name: S-phenyl 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbothioate CAS Name: 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbothioic acid S-phenyl ester IUPAC Name: S-phenyl 5-methyl-7-oxo-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbothioate Traditional Name: 7-keto-5-methyl-1H-[1,2,4]triazolo[1,5-a]pyrimidine-2-carbothioic acid S-phenyl ester Formula: C13H10N4O2S MolecularWeight: 286.3091

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)N2C(=N1)N=C(N2)C(=O)SC3=CC=CC=C3

Isomeric SMILES

CC1=CC(=O)N2C(=N1)N=C(N2)C(=O)SC3=CC=CC=C3

InChI

InChI=1S/C13H10N4O2S/c1-8-7-10(18)17-13(14-8)15-11(16-17)12(19)20-9-5-3-2-4-6-9/h2-7H,1H3,(H,14,15,16)