6-nitro-3-phenyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-benzofuran-1-one

Systemtic Name: 6-nitro-3-phenyl-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-benzofuran-1-one Openeye Name: 6-nitro-3-phenyl-3-(1-phenyltetrazol-5-yl)sulfanyl-isobenzofuran-1-one CAS Name: 6-nitro-3-phenyl-3-[(1-phenyl-5-tetrazolyl)thio]-1-isobenzofuranone IUPAC Name: 6-nitro-3-phenyl-3-(1-phenyltetrazol-5-yl)sulfanyl-2-benzofuran-1-one Traditional Name: 6-nitro-3-phenyl-3-[(1-phenyltetrazol-5-yl)thio]phthalide Formula: C21H13N5O4S MolecularWeight: 431.42402

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)SC4=NN=NN4C5=CC=CC=C5

Isomeric SMILES

C1=CC=C(C=C1)C2(C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O2)SC4=NN=NN4C5=CC=CC=C5

InChI

InChI=1S/C21H13N5O4S/c27-19-17-13-16(26(28)29)11-12-18(17)21(30-19,14-7-3-1-4-8-14)31-20-22-23-24-25(20)15-9-5-2-6-10-15/h1-13H