1-[3-[[4-azanyl-6-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone

Systemtic Name: 1-[3-[[4-azanyl-6-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone Openeye Name: 1-[3-[[4-amino-6-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]-4-methoxy-phenyl]ethanone CAS Name: 1-[3-[[[4-amino-6-(5-cyclopropyl-2-phenyl-3-pyrazolyl)-1,3,5-triazin-2-yl]thio]methyl]-4-methoxyphenyl]ethanone IUPAC Name: 1-[3-[[4-amino-6-(5-cyclopropyl-2-phenylpyrazol-3-yl)-1,3,5-triazin-2-yl]sulfanylmethyl]-4-methoxyphenyl]ethanone Traditional Name: 1-[3-[[[4-amino-6-(5-cyclopropyl-2-phenyl-pyrazol-3-yl)-s-triazin-2-yl]thio]methyl]-4-methoxy-phenyl]ethanone Formula: C25H24N6O2S MolecularWeight: 472.56206

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=NC(=N2)N)C3=CC(=NN3C4=CC=CC=C4)C5CC5

Isomeric SMILES

CC(=O)C1=CC(=C(C=C1)OC)CSC2=NC(=NC(=N2)N)C3=CC(=NN3C4=CC=CC=C4)C5CC5

InChI

InChI=1S/C25H24N6O2S/c1-15(32)17-10-11-22(33-2)18(12-17)14-34-25-28-23(27-24(26)29-25)21-13-20(16-8-9-16)30-31(21)19-6-4-3-5-7-19/h3-7,10-13,16H,8-9,14H2,1-2H3,(H2,26,27,28,29)