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

Systemtic Name: 6-methoxy-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 6-methoxy-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one CAS Name: 6-methoxy-2-[[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinolin-4-one IUPAC Name: 6-methoxy-2-[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 6-methoxy-2-[[[4-methyl-5-[(3-methylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-4-quinolone Formula: C22H22N4O3S MolecularWeight: 422.50008

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)OC

Isomeric SMILES

CC1=CC(=CC=C1)OCC2=NN=C(N2C)SCC3=CC(=O)C4=C(N3)C=CC(=C4)OC

InChI

InChI=1S/C22H22N4O3S/c1-14-5-4-6-17(9-14)29-12-21-24-25-22(26(21)2)30-13-15-10-20(27)18-11-16(28-3)7-8-19(18)23-15/h4-11H,12-13H2,1-3H3,(H,23,27)