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

Systemtic Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-5,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[[5-(4-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-5,8-dimethyl-4-quinolone Formula: C22H22N4O2S MolecularWeight: 406.50068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C=C(NC2=C(C=C1)C)CSC3=NN=C(N3C)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=O)C=C(NC2=C(C=C1)C)CSC3=NN=C(N3C)C4=CC=C(C=C4)OC

InChI

InChI=1S/C22H22N4O2S/c1-13-5-6-14(2)20-19(13)18(27)11-16(23-20)12-29-22-25-24-21(26(22)3)15-7-9-17(28-4)10-8-15/h5-11H,12H2,1-4H3,(H,23,27)