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

Systemtic Name: 2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(2-thienylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(thiophen-2-ylmethyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(2-thenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C16H12N4O2S2 MolecularWeight: 356.42208

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NNC(=N3)CC4=CC=CS4

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NNC(=N3)CC4=CC=CS4

InChI

InChI=1S/C16H12N4O2S2/c21-14-11-5-1-2-6-12(11)15(22)20(14)9-24-16-17-13(18-19-16)8-10-4-3-7-23-10/h1-7H,8-9H2,(H,17,18,19)