5-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-dihydropyrazol-3-one

Systemtic Name: 5-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-dihydropyrazol-3-one Openeye Name: 5-[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-dihydropyrazol-3-one CAS Name: 5-[[(2-methyl-4-benzofuro[3,2-d]pyrimidinyl)thio]methyl]-1,2-dihydropyrazol-3-one IUPAC Name: 5-[(2-methyl-[1]benzofuro[3,2-d]pyrimidin-4-yl)sulfanylmethyl]-1,2-dihydropyrazol-3-one Traditional Name: 5-[[(2-methylbenzofuro[3,2-d]pyrimidin-4-yl)thio]methyl]-3-pyrazolin-3-one Formula: C15H12N4O2S MolecularWeight: 312.34638

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(C(=N1)SCC3=CC(=O)NN3)OC4=CC=CC=C42

Isomeric SMILES

CC1=NC2=C(C(=N1)SCC3=CC(=O)NN3)OC4=CC=CC=C42

InChI

InChI=1S/C15H12N4O2S/c1-8-16-13-10-4-2-3-5-11(10)21-14(13)15(17-8)22-7-9-6-12(20)19-18-9/h2-6H,7H2,1H3,(H2,18,19,20)