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

Systemtic Name: 6-chloranyl-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 6-chloro-2-[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 6-chloro-2-[[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 6-chloro-2-[[4-ethyl-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 6-chloro-2-[[[4-ethyl-5-(o-tolyl)-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C20H18ClN5OS MolecularWeight: 411.90782

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4C

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C=CC(=C3)Cl)C4=CC=CC=C4C

InChI

InChI=1S/C20H18ClN5OS/c1-3-26-18(14-7-5-4-6-12(14)2)24-25-20(26)28-11-17-22-16-9-8-13(21)10-15(16)19(27)23-17/h4-10H,3,11H2,1-2H3,(H,22,23,27)