2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one

Systemtic Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]-6,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[[5-(4-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]-6,8-dimethyl-4-quinolone Formula: C21H20N4O2S MolecularWeight: 392.4741

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NNC(=N3)C4=CC=C(C=C4)OC)C

Isomeric SMILES

CC1=CC(=C2C(=C1)C(=O)C=C(N2)CSC3=NNC(=N3)C4=CC=C(C=C4)OC)C

InChI

InChI=1S/C21H20N4O2S/c1-12-8-13(2)19-17(9-12)18(26)10-15(22-19)11-28-21-23-20(24-25-21)14-4-6-16(27-3)7-5-14/h4-10H,11H2,1-3H3,(H,22,26)(H,23,24,25)