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

Systemtic Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[[5-(4-chlorophenyl)-4-ethyl-1,2,4-triazol-3-yl]thio]methyl]-1H-quinazolin-4-one Formula: C19H16ClN5OS MolecularWeight: 397.88124

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5OS/c1-2-25-17(12-7-9-13(20)10-8-12)23-24-19(25)27-11-16-21-15-6-4-3-5-14(15)18(26)22-16/h3-10H,2,11H2,1H3,(H,21,22,26)