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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC(=O)C4=CC=CC=C4N3

Isomeric SMILES

CC(C)C1=NC(=NN1C2=CC=CC=C2)SCC3=NC(=O)C4=CC=CC=C4N3

InChI

InChI=1S/C20H19N5OS/c1-13(2)18-23-20(24-25(18)14-8-4-3-5-9-14)27-12-17-21-16-11-7-6-10-15(16)19(26)22-17/h3-11,13H,12H2,1-2H3,(H,21,22,26)