2-(1,3-benzoxazol-2-yl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one CAS Name: 2-(1,3-benzoxazol-2-yl)-5-[[(4-methyl-2-pyrimidinyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-[(4-methylpyrimidin-2-yl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-[[(4-methylpyrimidin-2-yl)thio]methyl]-3-pyrazolin-3-one Formula: C16H13N5O2S MolecularWeight: 339.37172

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=NC=C1)SCC2=CC(=O)N(N2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CC1=NC(=NC=C1)SCC2=CC(=O)N(N2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C16H13N5O2S/c1-10-6-7-17-15(18-10)24-9-11-8-14(22)21(20-11)16-19-12-4-2-3-5-13(12)23-16/h2-8,20H,9H2,1H3