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

Systemtic Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-ethyl-5-[1-(4-ethylphenoxy)ethyl]-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:

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CCC1=CC=C(C=C1)OC(C)C2=NN=C(N2CC)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C23H25N5O2S/c1-4-16-10-12-17(13-11-16)30-15(3)21-26-27-23(28(21)5-2)31-14-20-24-19-9-7-6-8-18(19)22(29)25-20/h6-13,15H,4-5,14H2,1-3H3,(H,24,25,29)