5,7-dimethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one

Systemtic Name: 5,7-dimethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Openeye Name: 5,7-dimethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one CAS Name: 5,7-dimethyl-2-[[(4-methyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]-1H-quinolin-4-one IUPAC Name: 5,7-dimethyl-2-[(4-methyl-5-propyl-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinolin-4-one Traditional Name: 5,7-dimethyl-2-[[(4-methyl-5-propyl-1,2,4-triazol-3-yl)thio]methyl]-4-quinolone Formula: C18H22N4OS MolecularWeight: 342.45848

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(C=C(C=C3N2)C)C

Isomeric SMILES

CCCC1=NN=C(N1C)SCC2=CC(=O)C3=C(C=C(C=C3N2)C)C

InChI

InChI=1S/C18H22N4OS/c1-5-6-16-20-21-18(22(16)4)24-10-13-9-15(23)17-12(3)7-11(2)8-14(17)19-13/h7-9H,5-6,10H2,1-4H3,(H,19,23)