4-(4-butylphenyl)-3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione

Systemtic Name: 4-(4-butylphenyl)-3-[(2-chloranyl-6-fluoranyl-phenyl)methyl]-1H-1,2,4-triazole-5-thione Openeye Name: 4-(4-butylphenyl)-3-[(2-chloro-6-fluoro-phenyl)methyl]-1H-1,2,4-triazole-5-thione CAS Name: 4-(4-butylphenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione IUPAC Name: 4-(4-butylphenyl)-3-[(2-chloro-6-fluorophenyl)methyl]-1H-1,2,4-triazole-5-thione Traditional Name: 4-(4-butylphenyl)-3-(2-chloro-6-fluoro-benzyl)-1H-1,2,4-triazole-5-thione Formula: C19H19ClFN3S MolecularWeight: 375.890663

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CC3=C(C=CC=C3Cl)F

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NNC2=S)CC3=C(C=CC=C3Cl)F

InChI

InChI=1S/C19H19ClFN3S/c1-2-3-5-13-8-10-14(11-9-13)24-18(22-23-19(24)25)12-15-16(20)6-4-7-17(15)21/h4,6-11H,2-3,5,12H2,1H3,(H,23,25)