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

Systemtic Name: 2-[[4-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-ethyl-5-[(2-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-ethyl-5-[(2-propan-2-ylphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-ethyl-5-[(2-isopropylphenoxy)methyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C23H25N5O2S MolecularWeight: 435.5419

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C23H25N5O2S/c1-4-28-21(13-30-19-12-8-6-9-16(19)15(2)3)26-27-23(28)31-14-20-24-18-11-7-5-10-17(18)22(29)25-20/h5-12,15H,4,13-14H2,1-3H3,(H,24,25,29)