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

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

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=C(C=C4)C(C)(C)C

InChI

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