3-(4-azanyl-8-cyano-7-methyl-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanylbenzoic acid

Systemtic Name: 3-(4-azanyl-8-cyano-7-methyl-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanylbenzoic acid Openeye Name: 3-(4-amino-8-cyano-7-methyl-pyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanylbenzoic acid CAS Name: 3-[(4-amino-8-cyano-7-methyl-2-pyrazolo[1,5-a][1,3,5]triazinyl)thio]benzoic acid IUPAC Name: 3-(4-amino-8-cyano-7-methylpyrazolo[1,5-a][1,3,5]triazin-2-yl)sulfanylbenzoic acid Traditional Name: 3-[(4-amino-8-cyano-7-methyl-pyrazolo[1,5-a][1,3,5]triazin-2-yl)thio]benzoic acid Formula: C14H10N6O2S MolecularWeight: 326.3332

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN2C(=C1C#N)N=C(N=C2N)SC3=CC=CC(=C3)C(=O)O

Isomeric SMILES

CC1=NN2C(=C1C#N)N=C(N=C2N)SC3=CC=CC(=C3)C(=O)O

InChI

InChI=1S/C14H10N6O2S/c1-7-10(6-15)11-17-14(18-13(16)20(11)19-7)23-9-4-2-3-8(5-9)12(21)22/h2-5H,1H3,(H,21,22)(H2,16,17,18)