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

Systemtic Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C20H19N5OS MolecularWeight: 377.46276

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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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5OS/c1-3-25-18(14-9-5-4-6-10-14)23-24-20(25)27-12-16-21-17-13(2)8-7-11-15(17)19(26)22-16/h4-11H,3,12H2,1-2H3,(H,21,22,26)