2-[[4-ethyl-5-[(2-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one

Systemtic Name: 2-[[4-ethyl-5-[(2-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[[4-ethyl-5-[(2-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-[(2-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(2-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(2-ethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-4-quinolone Formula: C25H28N4O2S MolecularWeight: 448.58042

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC=C1OCC2=NN=C(N2CC)SCC3=CC(=O)C4=C(N3)C(=C(C=C4)C)C

Isomeric SMILES

CCC1=CC=CC=C1OCC2=NN=C(N2CC)SCC3=CC(=O)C4=C(N3)C(=C(C=C4)C)C

InChI

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