2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione

Systemtic Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(2-methoxy-5-methylphenyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(2-methoxy-5-methyl-phenyl)-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C23H18N4O3S2 MolecularWeight: 462.54402

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)C5=CC=CS5

InChI

InChI=1S/C23H18N4O3S2/c1-14-9-10-18(30-2)17(12-14)27-20(19-8-5-11-31-19)24-25-23(27)32-13-26-21(28)15-6-3-4-7-16(15)22(26)29/h3-12H,13H2,1-2H3