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

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-3-methyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Openeye Name: 3-[(2-chloro-6-fluoro-3-methyl-phenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione CAS Name: 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione IUPAC Name: 3-[(2-chloro-6-fluoro-3-methylphenyl)methyl]-4-phenyl-1H-1,2,4-triazole-5-thione Traditional Name: 3-(2-chloro-6-fluoro-3-methyl-benzyl)-4-phenyl-1H-1,2,4-triazole-5-thione Formula: C16H13ClFN3S MolecularWeight: 333.810923

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(C=C1)F)CC2=NNC(=S)N2C3=CC=CC=C3)Cl

Isomeric SMILES

CC1=C(C(=C(C=C1)F)CC2=NNC(=S)N2C3=CC=CC=C3)Cl

InChI

InChI=1S/C16H13ClFN3S/c1-10-7-8-13(18)12(15(10)17)9-14-19-20-16(22)21(14)11-5-3-2-4-6-11/h2-8H,9H2,1H3,(H,20,22)