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

Systemtic Name: 2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-phenyl-5-(2-thienylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-phenyl-5-(thiophen-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-phenyl-5-(2-thenyl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C22H16N4O2S2 MolecularWeight: 432.51804

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CS5

Isomeric SMILES

C1=CC=C(C=C1)N2C(=NN=C2SCN3C(=O)C4=CC=CC=C4C3=O)CC5=CC=CS5

InChI

InChI=1S/C22H16N4O2S2/c27-20-17-10-4-5-11-18(17)21(28)25(20)14-30-22-24-23-19(13-16-9-6-12-29-16)26(22)15-7-2-1-3-8-15/h1-12H,13-14H2