2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=C(C=CC=C4C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)COC4=C(C=CC=C4C)C

InChI

InChI=1S/C22H23N5O2S/c1-4-27-19(12-29-20-14(2)8-7-9-15(20)3)25-26-22(27)30-13-18-23-17-11-6-5-10-16(17)21(28)24-18/h5-11H,4,12-13H2,1-3H3,(H,23,24,28)