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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3CC)COC4=C(C=CC(=C4)C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3CC)COC4=C(C=CC(=C4)C)C

InChI

InChI=1S/C25H28N4O2S/c1-5-18-9-10-21-20(12-18)22(30)13-19(26-21)15-32-25-28-27-24(29(25)6-2)14-31-23-11-16(3)7-8-17(23)4/h7-13H,5-6,14-15H2,1-4H3,(H,26,30)