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

Systemtic Name: 1-[[4-azanyl-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-1,2,4-triazol-3-yl]thio]acetone Formula: C9H12N6OS MolecularWeight: 252.29618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)C

Isomeric SMILES

CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)C

InChI

InChI=1S/C9H12N6OS/c1-5-3-7(12-11-5)8-13-14-9(15(8)10)17-4-6(2)16/h3H,4,10H2,1-2H3,(H,11,12)