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

Systemtic Name: 2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Openeye Name: 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one CAS Name: 2-[[(1-tert-butyl-5-tetrazolyl)thio]methyl]-1H-quinazolin-4-one IUPAC Name: 2-[(1-tert-butyltetrazol-5-yl)sulfanylmethyl]-1H-quinazolin-4-one Traditional Name: 2-[[(1-tert-butyltetrazol-5-yl)thio]methyl]-1H-quinazolin-4-one Formula: C14H16N6OS MolecularWeight: 316.38144

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC2=NC(=O)C3=CC=CC=C3N2

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC2=NC(=O)C3=CC=CC=C3N2

InChI

InChI=1S/C14H16N6OS/c1-14(2,3)20-13(17-18-19-20)22-8-11-15-10-7-5-4-6-9(10)12(21)16-11/h4-7H,8H2,1-3H3,(H,15,16,21)