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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=C(C=C4)OC

Isomeric SMILES

CC1=CC2=C(C=C1)NC(=CC2=O)CSC3=NN=C(N3C)COC4=CC=C(C=C4)OC

InChI

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