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

Systemtic Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-[(2,6-dimethylphenoxy)methyl]-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H21N5O2S MolecularWeight: 407.48874

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC1=C(C(=CC=C1)C)OCC2=NN=C(N2C)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C21H21N5O2S/c1-13-7-6-8-14(2)19(13)28-11-18-24-25-21(26(18)3)29-12-17-22-16-10-5-4-9-15(16)20(27)23-17/h4-10H,11-12H2,1-3H3,(H,22,23,27)