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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=O)C=C(NC2=C(C=C1)C)CSC3=NNC(=N3)C4=CC=C(C=C4)OC

Isomeric SMILES

CC1=C2C(=O)C=C(NC2=C(C=C1)C)CSC3=NNC(=N3)C4=CC=C(C=C4)OC

InChI

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