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

Systemtic Name: 4-butyl-3-(5-chloranyl-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Openeye Name: 4-butyl-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione CAS Name: 4-butyl-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione IUPAC Name: 4-butyl-3-(5-chloro-2-methoxyphenyl)-1H-1,2,4-triazole-5-thione Traditional Name: 4-butyl-3-(5-chloro-2-methoxy-phenyl)-1H-1,2,4-triazole-5-thione Formula: C13H16ClN3OS MolecularWeight: 297.80364

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NNC1=S)C2=C(C=CC(=C2)Cl)OC

Isomeric SMILES

CCCCN1C(=NNC1=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)