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

Systemtic Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(2-bromophenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C17H11BrN4O2S MolecularWeight: 415.26384

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NNC(=N3)C4=CC=CC=C4Br

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)N(C2=O)CSC3=NNC(=N3)C4=CC=CC=C4Br

InChI

InChI=1S/C17H11BrN4O2S/c18-13-8-4-3-7-12(13)14-19-17(21-20-14)25-9-22-15(23)10-5-1-2-6-11(10)16(22)24/h1-8H,9H2,(H,19,20,21)