4-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one

Systemtic Name: 4-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Openeye Name: 4-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one CAS Name: 4-[[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-2-one IUPAC Name: 4-[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-2-one Traditional Name: 4-[[[5-[(3-methoxyphenoxy)methyl]-4-phenethyl-1,2,4-triazol-3-yl]thio]methyl]carbostyril Formula: C28H26N4O3S MolecularWeight: 498.59604

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC(=O)NC5=CC=CC=C54

Isomeric SMILES

COC1=CC(=CC=C1)OCC2=NN=C(N2CCC3=CC=CC=C3)SCC4=CC(=O)NC5=CC=CC=C54

InChI

InChI=1S/C28H26N4O3S/c1-34-22-10-7-11-23(17-22)35-18-26-30-31-28(32(26)15-14-20-8-3-2-4-9-20)36-19-21-16-27(33)29-25-13-6-5-12-24(21)25/h2-13,16-17H,14-15,18-19H2,1H3,(H,29,33)