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

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-5,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-5,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-5,8-dimethyl-4-quinolone Formula: C27H32N4O2S MolecularWeight: 476.63358

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=CC(=O)C3=C(C=CC(=C3N2)C)C)COC4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=CC(=O)C3=C(C=CC(=C3N2)C)C)COC4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C27H32N4O2S/c1-7-31-23(15-33-21-12-10-19(11-13-21)27(4,5)6)29-30-26(31)34-16-20-14-22(32)24-17(2)8-9-18(3)25(24)28-20/h8-14H,7,15-16H2,1-6H3,(H,28,32)