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

Systemtic Name: 2-[[5-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Openeye Name: 2-[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindoline-1,3-dione CAS Name: 2-[[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindole-1,3-dione IUPAC Name: 2-[[5-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazol-3-yl]sulfanylmethyl]isoindole-1,3-dione Traditional Name: 2-[[[5-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazol-3-yl]thio]methyl]isoindoline-1,3-quinone Formula: C18H13ClN4O3S MolecularWeight: 400.83882

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCN3C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

COC1=C(C=C(C=C1)Cl)C2=NC(=NN2)SCN3C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C18H13ClN4O3S/c1-26-14-7-6-10(19)8-13(14)15-20-18(22-21-15)27-9-23-16(24)11-4-2-3-5-12(11)17(23)25/h2-8H,9H2,1H3,(H,20,21,22)