4,5,6-triethoxy-7-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-2-benzofuran-1-one

Systemtic Name: 4,5,6-triethoxy-7-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-2-benzofuran-1-one Openeye Name: 4,5,6-triethoxy-7-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-isobenzofuran-1-one CAS Name: 4,5,6-triethoxy-7-[[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]-3H-isobenzofuran-1-one IUPAC Name: 4,5,6-triethoxy-7-[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-2-benzofuran-1-one Traditional Name: 4,5,6-triethoxy-7-[[[5-(3-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]thio]methyl]phthalide Formula: C25H29N3O6S MolecularWeight: 499.57926

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C)C4=CC(=CC=C4)OC)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C)C4=CC(=CC=C4)OC)OCC)OCC

InChI

InChI=1S/C25H29N3O6S/c1-6-31-20-17-13-34-24(29)19(17)18(21(32-7-2)22(20)33-8-3)14-35-25-27-26-23(28(25)4)15-10-9-11-16(12-15)30-5/h9-12H,6-8,13-14H2,1-5H3