2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one

Systemtic Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[[5-(3-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-8-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)C)C4=CC(=CC=C4)Cl

Isomeric SMILES

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

InChI

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