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

Systemtic Name: 3-(4-chlorophenyl)-3-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanyl]-2-benzofuran-1-one Openeye Name: 3-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-isobenzofuran-1-one CAS Name: 3-(4-chlorophenyl)-3-[(1-phenyl-5-tetrazolyl)thio]-1-isobenzofuranone IUPAC Name: 3-(4-chlorophenyl)-3-(1-phenyltetrazol-5-yl)sulfanyl-2-benzofuran-1-one Traditional Name: 3-(4-chlorophenyl)-3-[(1-phenyltetrazol-5-yl)thio]phthalide Formula: C21H13ClN4O2S MolecularWeight: 420.87152

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=N2)SC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)Cl

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=N2)SC3(C4=CC=CC=C4C(=O)O3)C5=CC=C(C=C5)Cl

InChI

InChI=1S/C21H13ClN4O2S/c22-15-12-10-14(11-13-15)21(18-9-5-4-8-17(18)19(27)28-21)29-20-23-24-25-26(20)16-6-2-1-3-7-16/h1-13H