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

Systemtic Name: 2-[[4-ethyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[(4-ethyl-5-isobutyl-1,2,4-triazol-3-yl)sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[4-ethyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-5,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[4-ethyl-5-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[(4-ethyl-5-isobutyl-1,2,4-triazol-3-yl)thio]methyl]-5,8-dimethyl-4-quinolone Formula: C20H26N4OS MolecularWeight: 370.51164

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=C(C=CC(=C3N2)C)C)CC(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=C(C=CC(=C3N2)C)C)CC(C)C

InChI

InChI=1S/C20H26N4OS/c1-6-24-17(9-12(2)3)22-23-20(24)26-11-15-10-16(25)18-13(4)7-8-14(5)19(18)21-15/h7-8,10,12H,6,9,11H2,1-5H3,(H,21,25)