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

Systemtic Name: 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[4-(2-furylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[4-(2-furanylmethyl)-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[4-(2-furfuryl)-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C16H12N4O3S MolecularWeight: 340.35648

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=CN3CC4=CC=CO4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NN=CN3CC4=CC=CO4

InChI

InChI=1S/C16H12N4O3S/c21-14-12-5-1-2-6-13(12)15(22)20(14)10-24-16-18-17-9-19(16)8-11-4-3-7-23-11/h1-7,9H,8,10H2