2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one

Systemtic Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one Openeye Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one CAS Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-1H-quinolin-4-one IUPAC Name: 2-[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7,8-dimethyl-1H-quinolin-4-one Traditional Name: 2-[[[5-[(4-tert-butylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-7,8-dimethyl-4-quinolone Formula: C26H30N4O2S MolecularWeight: 462.607

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSC3=NN=C(N3C)COC4=CC=C(C=C4)C(C)(C)C)C

Isomeric SMILES

CC1=C(C2=C(C=C1)C(=O)C=C(N2)CSC3=NN=C(N3C)COC4=CC=C(C=C4)C(C)(C)C)C

InChI

InChI=1S/C26H30N4O2S/c1-16-7-12-21-22(31)13-19(27-24(21)17(16)2)15-33-25-29-28-23(30(25)6)14-32-20-10-8-18(9-11-20)26(3,4)5/h7-13H,14-15H2,1-6H3,(H,27,31)