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

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-6-methyl-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-6-methyl-4-quinolone Formula: C26H30N4O2S MolecularWeight: 462.607

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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)C

Isomeric SMILES

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

InChI

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