6,8-dimethyl-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 6,8-dimethyl-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one CAS Name: 6,8-dimethyl-2-[[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6,8-dimethyl-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-6,8-dimethyl-4-quinolone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NN=C(N3C)COC4=CC=C(C=C4)C(C)C)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NN=C(N3C)COC4=CC=C(C=C4)C(C)C)C

InChI

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