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

Systemtic Name: 6-[2-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]ethanoyl]-4H-1,4-benzoxazin-3-one Openeye Name: 6-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one CAS Name: 6-[1-oxo-2-[(1-phenyl-5-tetrazolyl)thio]ethyl]-4H-1,4-benzoxazin-3-one IUPAC Name: 6-[2-(1-phenyltetrazol-5-yl)sulfanylacetyl]-4H-1,4-benzoxazin-3-one Traditional Name: 6-[2-[(1-phenyltetrazol-5-yl)thio]acetyl]-4H-1,4-benzoxazin-3-one Formula: C17H13N5O3S MolecularWeight: 367.38182

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Descriptors Computed from Structure

Canonical SMILES:

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

Isomeric SMILES

C1C(=O)NC2=C(O1)C=CC(=C2)C(=O)CSC3=NN=NN3C4=CC=CC=C4

InChI

InChI=1S/C17H13N5O3S/c23-14(11-6-7-15-13(8-11)18-16(24)9-25-15)10-26-17-19-20-21-22(17)12-4-2-1-3-5-12/h1-8H,9-10H2,(H,18,24)