2-[2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione

Systemtic Name: 2-[2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Openeye Name: 2-[2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindoline-1,3-dione CAS Name: 2-[2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]isoindole-1,3-dione IUPAC Name: 2-[2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanyl]ethyl]isoindole-1,3-dione Traditional Name: 2-[2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]ethyl]isoindoline-1,3-quinone Formula: C19H15ClN4O3S MolecularWeight: 414.8654

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C19H15ClN4O3S/c1-27-15-7-6-11(20)10-14(15)16-21-19(23-22-16)28-9-8-24-17(25)12-4-2-3-5-13(12)18(24)26/h2-7,10H,8-9H2,1H3,(H,21,22,23)