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

Systemtic Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one Openeye Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one CAS Name: 2-[[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4aH-quinazolin-4-one IUPAC Name: 2-[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-4aH-quinazolin-4-one Traditional Name: 2-[[[5-[(2,5-dimethylphenoxy)methyl]-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-4aH-quinazolin-4-one Formula: C26H23N5O2S MolecularWeight: 469.55812

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5C=CC=CC5=N4

Isomeric SMILES

CC1=CC(=C(C=C1)C)OCC2=NN=C(N2C3=CC=CC=C3)SCC4=NC(=O)C5C=CC=CC5=N4

InChI

InChI=1S/C26H23N5O2S/c1-17-12-13-18(2)22(14-17)33-15-24-29-30-26(31(24)19-8-4-3-5-9-19)34-16-23-27-21-11-7-6-10-20(21)25(32)28-23/h3-14,20H,15-16H2,1-2H3