4-[[4-butyl-5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one

Systemtic Name: 4-[[4-butyl-5-[2-(4-methylphenyl)-2-oxidanylidene-ethyl]sulfanyl-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Openeye Name: 4-[[4-butyl-5-[2-oxo-2-(p-tolyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one CAS Name: 4-[[4-butyl-5-[[2-(4-methylphenyl)-2-oxoethyl]thio]-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one IUPAC Name: 4-[[4-butyl-5-[2-(4-methylphenyl)-2-oxoethyl]sulfanyl-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Traditional Name: 4-[[4-butyl-5-[[2-keto-2-(p-tolyl)ethyl]thio]-1,2,4-triazol-3-yl]methoxy]-2H-phthalazin-1-one Formula: C24H25N5O3S MolecularWeight: 463.552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)COC3=NNC(=O)C4=CC=CC=C43

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)C2=CC=C(C=C2)C)COC3=NNC(=O)C4=CC=CC=C43

InChI

InChI=1S/C24H25N5O3S/c1-3-4-13-29-21(14-32-23-19-8-6-5-7-18(19)22(31)26-27-23)25-28-24(29)33-15-20(30)17-11-9-16(2)10-12-17/h5-12H,3-4,13-15H2,1-2H3,(H,26,31)