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

Systemtic Name: 6-[2-[(1-tert-butyl-1,2,3,4-tetrazol-5-yl)sulfanyl]propanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[2-[(1-tert-butyl-5-tetrazolyl)thio]-1-oxopropyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-tert-butyltetrazol-5-yl)sulfanylpropanoyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-tert-butyltetrazol-5-yl)thio]propanoyl]-4H-1,4-benzoxazin-3-one Formula: C16H19N5O3S MolecularWeight: 361.41876

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C(C)(C)C

Isomeric SMILES

CC(C(=O)C1=CC2=C(C=C1)OCC(=O)N2)SC3=NN=NN3C(C)(C)C

InChI

InChI=1S/C16H19N5O3S/c1-9(25-15-18-19-20-21(15)16(2,3)4)14(23)10-5-6-12-11(7-10)17-13(22)8-24-12/h5-7,9H,8H2,1-4H3,(H,17,22)