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

Systemtic Name: 4,5,6-triethoxy-7-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-2-benzofuran-1-one Openeye Name: 4,5,6-triethoxy-7-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-isobenzofuran-1-one CAS Name: 4,5,6-triethoxy-7-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]-3H-isobenzofuran-1-one IUPAC Name: 4,5,6-triethoxy-7-[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanylmethyl]-3H-2-benzofuran-1-one Traditional Name: 4,5,6-triethoxy-7-[[[5-(2-methoxyphenyl)-4-phenyl-1,2,4-triazol-3-yl]thio]methyl]phthalide Formula: C30H31N3O6S MolecularWeight: 561.64864

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5OC)OCC)OCC

Isomeric SMILES

CCOC1=C(C(=C(C2=C1COC2=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CC=C5OC)OCC)OCC

InChI

InChI=1S/C30H31N3O6S/c1-5-36-25-21-17-39-29(34)24(21)22(26(37-6-2)27(25)38-7-3)18-40-30-32-31-28(20-15-11-12-16-23(20)35-4)33(30)19-13-9-8-10-14-19/h8-16H,5-7,17-18H2,1-4H3