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

Systemtic Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-5,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(4-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-5,8-dimethyl-4-quinolone Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=C(C=CC(=C3N2)C)C)COC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=C(C=CC(=C3N2)C)C)COC4=CC=C(C=C4)C(C)C

InChI

InChI=1S/C26H30N4O2S/c1-6-30-23(14-32-21-11-9-19(10-12-21)16(2)3)28-29-26(30)33-15-20-13-22(31)24-17(4)7-8-18(5)25(24)27-20/h7-13,16H,6,14-15H2,1-5H3,(H,27,31)