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

Systemtic Name: 1-[[4-azanyl-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-amino-5-[3-(p-tolyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-amino-5-[3-(4-methylphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-amino-5-[3-(p-tolyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]acetone Formula: C15H16N6OS MolecularWeight: 328.39214

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)C

Isomeric SMILES

CC1=CC=C(C=C1)C2=NNC(=C2)C3=NN=C(N3N)SCC(=O)C

InChI

InChI=1S/C15H16N6OS/c1-9-3-5-11(6-4-9)12-7-13(18-17-12)14-19-20-15(21(14)16)23-8-10(2)22/h3-7H,8,16H2,1-2H3,(H,17,18)