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

Systemtic Name: 1-[[4-azanyl-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-amino-5-(3-phenyl-1H-pyrazol-5-yl)-1,2,4-triazol-3-yl]thio]acetone Formula: C14H14N6OS MolecularWeight: 314.36556

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=CC=C3

Isomeric SMILES

CC(=O)CSC1=NN=C(N1N)C2=CC(=NN2)C3=CC=CC=C3

InChI

InChI=1S/C14H14N6OS/c1-9(21)8-22-14-19-18-13(20(14)15)12-7-11(16-17-12)10-5-3-2-4-6-10/h2-7H,8,15H2,1H3,(H,16,17)