6-[2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one

Systemtic Name: 6-[2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-tert-butyl-5-tetrazolyl)thio]-1-oxoethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-tert-butyltetrazol-5-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-tert-butyltetrazol-5-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C15H17N5O3S MolecularWeight: 347.39218

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

Isomeric SMILES

CC(C)(C)N1C(=NN=N1)SCC(=O)C2=CC3=C(C=C2)OCC(=O)N3

InChI

InChI=1S/C15H17N5O3S/c1-15(2,3)20-14(17-18-19-20)24-8-11(21)9-4-5-12-10(6-9)16-13(22)7-23-12/h4-6H,7-8H2,1-3H3,(H,16,22)