2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloranyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-7-chloro-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-tert-butylphenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-7-chloro-1H-quinazolin-4-one Formula: C23H24ClN5OS MolecularWeight: 453.98756

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=CC=C(C=C4)C(C)(C)C

InChI

InChI=1S/C23H24ClN5OS/c1-5-29-20(14-6-8-15(9-7-14)23(2,3)4)27-28-22(29)31-13-19-25-18-12-16(24)10-11-17(18)21(30)26-19/h6-12H,5,13H2,1-4H3,(H,25,26,30)