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

Systemtic Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(5-tert-butyl-1H-1,2,4-triazol-3-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(5-tert-butyl-1H-1,2,4-triazol-3-yl)thio]methyl]-1H-quinazolin-4-one Formula: C15H17N5OS MolecularWeight: 315.39338

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NC(=NN1)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)C1=NC(=NN1)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C15H17N5OS/c1-15(2,3)13-18-14(20-19-13)22-8-11-16-10-7-5-4-6-9(10)12(21)17-11/h4-7H,8H2,1-3H3,(H,16,17,21)(H,18,19,20)