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

Systemtic Name: 1-[[4-azanyl-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Openeye Name: 1-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one CAS Name: 1-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]-2-propanone IUPAC Name: 1-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]sulfanyl]propan-2-one Traditional Name: 1-[[4-amino-5-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]-1,2,4-triazol-3-yl]thio]acetone Formula: C15H16N6O2S MolecularWeight: 344.39154

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H16N6O2S/c1-9(22)8-24-15-20-19-14(21(15)16)13-7-12(17-18-13)10-3-5-11(23-2)6-4-10/h3-7H,8,16H2,1-2H3,(H,17,18)