4,5,6-trimethoxy-7-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-2-benzofuran-1-one

Systemtic Name: 4,5,6-trimethoxy-7-[(1-phenyl-1,2,3,4-tetrazol-5-yl)sulfanylmethyl]-3H-2-benzofuran-1-one Openeye Name: 4,5,6-trimethoxy-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-isobenzofuran-1-one CAS Name: 4,5,6-trimethoxy-7-[[(1-phenyl-5-tetrazolyl)thio]methyl]-3H-isobenzofuran-1-one IUPAC Name: 4,5,6-trimethoxy-7-[(1-phenyltetrazol-5-yl)sulfanylmethyl]-3H-2-benzofuran-1-one Traditional Name: 4,5,6-trimethoxy-7-[[(1-phenyltetrazol-5-yl)thio]methyl]phthalide Formula: C19H18N4O5S MolecularWeight: 414.43502

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=NN3C4=CC=CC=C4)OC)OC

Isomeric SMILES

COC1=C(C(=C(C2=C1COC2=O)CSC3=NN=NN3C4=CC=CC=C4)OC)OC

InChI

InChI=1S/C19H18N4O5S/c1-25-15-12-9-28-18(24)14(12)13(16(26-2)17(15)27-3)10-29-19-20-21-22-23(19)11-7-5-4-6-8-11/h4-8H,9-10H2,1-3H3