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

Systemtic Name: 2-[[4-ethyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[4-ethyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[4-ethyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[4-ethyl-5-[3-(4-methoxyphenyl)propyl]-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[4-ethyl-5-[3-(4-methoxyphenyl)propyl]-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)CCCC4=CC=C(C=C4)OC

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)CCCC4=CC=C(C=C4)OC

InChI

InChI=1S/C23H25N5O2S/c1-3-28-21(10-6-7-16-11-13-17(30-2)14-12-16)26-27-23(28)31-15-20-24-19-9-5-4-8-18(19)22(29)25-20/h4-5,8-9,11-14H,3,6-7,10,15H2,1-2H3,(H,24,25,29)