7-chloranyl-2-[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one

Systemtic Name: 7-chloranyl-2-[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 7-chloro-2-[[5-(2,4-dichlorophenyl)-4-isobutyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 7-chloro-2-[[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 7-chloro-2-[[5-(2,4-dichlorophenyl)-4-(2-methylpropyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 7-chloro-2-[[[5-(2,4-dichlorophenyl)-4-isobutyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C21H18Cl3N5OS MolecularWeight: 494.82452

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

CC(C)CN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=C(C=C3)Cl)C4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C21H18Cl3N5OS/c1-11(2)9-29-19(14-5-3-12(22)7-16(14)24)27-28-21(29)31-10-18-25-17-8-13(23)4-6-15(17)20(30)26-18/h3-8,11H,9-10H2,1-2H3,(H,25,26,30)