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

Systemtic Name: 2-(1,3-benzoxazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Openeye Name: 2-(1,3-benzoxazol-2-yl)-5-(p-tolylsulfanylmethyl)-1H-pyrazol-3-one CAS Name: 2-(1,3-benzoxazol-2-yl)-5-[[(4-methylphenyl)thio]methyl]-1H-pyrazol-3-one IUPAC Name: 2-(1,3-benzoxazol-2-yl)-5-[(4-methylphenyl)sulfanylmethyl]-1H-pyrazol-3-one Traditional Name: 2-(1,3-benzoxazol-2-yl)-5-[(p-tolylthio)methyl]-3-pyrazolin-3-one Formula: C18H15N3O2S MolecularWeight: 337.3956

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O2S/c1-12-6-8-14(9-7-12)24-11-13-10-17(22)21(20-13)18-19-15-4-2-3-5-16(15)23-18/h2-10,20H,11H2,1H3