4-butyl-5-(5-chloranyl-2-methoxy-phenyl)-1,2,4-triazole-3-thiolate

Systemtic Name: 4-butyl-5-(5-chloranyl-2-methoxy-phenyl)-1,2,4-triazole-3-thiolate Openeye Name: 4-butyl-5-(5-chloro-2-methoxy-phenyl)-1,2,4-triazole-3-thiolate CAS Name: 4-butyl-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazole-3-thiolate IUPAC Name: 4-butyl-5-(5-chloro-2-methoxyphenyl)-1,2,4-triazole-3-thiolate Traditional Name: 4-butyl-5-(5-chloro-2-methoxy-phenyl)-1,2,4-triazole-3-thiolate Formula: C13H15ClN3OS- MolecularWeight: 296.7957

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1[S-])C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCCCN1C(=NN=C1[S-])C2=C(C=CC(=C2)Cl)OC

InChI

InChI=1S/C13H16ClN3OS/c1-3-4-7-17-12(15-16-13(17)19)10-8-9(14)5-6-11(10)18-2/h5-6,8H,3-4,7H2,1-2H3,(H,16,19)/p-1