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

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-allyl-5-[(2,6-dimethylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H23N5O2S MolecularWeight: 433.52602

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2CC=C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H23N5O2S/c1-4-12-28-20(13-30-21-15(2)8-7-9-16(21)3)26-27-23(28)31-14-19-24-18-11-6-5-10-17(18)22(29)25-19/h4-11H,1,12-14H2,2-3H3,(H,24,25,29)