2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: 2-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: 2-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C13H13N7OS MolecularWeight: 315.35362

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)N

Isomeric SMILES

C1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)N

InChI

InChI=1S/C13H13N7OS/c14-11(21)7-22-13-19-18-12(20(13)15)10-6-9(16-17-10)8-4-2-1-3-5-8/h1-6H,7,15H2,(H2,14,21)(H,16,17)