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

Systemtic Name: 2-[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Openeye Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one CAS Name: 2-[[[4-ethyl-5-(phenylmethyl)-1,2,4-triazol-3-yl]thio]methyl]-8-methyl-1H-quinazolin-4-one IUPAC Name: 2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanylmethyl]-8-methyl-1H-quinazolin-4-one Traditional Name: 2-[[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)thio]methyl]-8-methyl-1H-quinazolin-4-one Formula: C21H21N5OS MolecularWeight: 391.48934

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C)CC4=CC=CC=C4

Isomeric SMILES

CCN1C(=NN=C1SCC2=NC(=O)C3=C(N2)C(=CC=C3)C)CC4=CC=CC=C4

InChI

InChI=1S/C21H21N5OS/c1-3-26-18(12-15-9-5-4-6-10-15)24-25-21(26)28-13-17-22-19-14(2)8-7-11-16(19)20(27)23-17/h4-11H,3,12-13H2,1-2H3,(H,22,23,27)