2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one

Systemtic Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-4-quinolone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C=CC(=C3)C)COC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=C(N2)C=CC(=C3)C)COC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C25H28N4O2S/c1-5-29-24(14-31-20-9-7-18(8-10-20)16(2)3)27-28-25(29)32-15-19-13-23(30)21-12-17(4)6-11-22(21)26-19/h6-13,16H,5,14-15H2,1-4H3,(H,26,30)