4-butyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazole-3-thiolate

Systemtic Name: 4-butyl-5-[(4-chloranylphenoxy)methyl]-1,2,4-triazole-3-thiolate Openeye Name: 4-butyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate CAS Name: 4-butyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate IUPAC Name: 4-butyl-5-[(4-chlorophenoxy)methyl]-1,2,4-triazole-3-thiolate Traditional Name: 4-butyl-5-[(4-chlorophenoxy)methyl]-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-])COC2=CC=C(C=C2)Cl

Isomeric SMILES

CCCCN1C(=NN=C1[S-])COC2=CC=C(C=C2)Cl

InChI

InChI=1S/C13H16ClN3OS/c1-2-3-8-17-12(15-16-13(17)19)9-18-11-6-4-10(14)5-7-11/h4-7H,2-3,8-9H2,1H3,(H,16,19)/p-1