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

Systemtic Name: 6-ethyl-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-ethyl-2-[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-ethyl-2-[[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-ethyl-2-[[4-methyl-5-[(4-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-ethyl-2-[[[5-[(4-isopropylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-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(N3C)COC4=CC=C(C=C4)C(C)C

Isomeric SMILES

CCC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=C(C=C4)C(C)C

InChI

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