4-(4-ethynyl-2-methyl-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione

Systemtic Name: 4-(4-ethynyl-2-methyl-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Openeye Name: 4-(4-ethynyl-2-methyl-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione CAS Name: 4-(4-ethynyl-2-methylphenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione IUPAC Name: 4-(4-ethynyl-2-methylphenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Traditional Name: 4-(4-ethynyl-2-methyl-phenyl)-2-methyl-5-(trifluoromethyl)-1,2,4-triazole-3-thione Formula: C13H10F3N3S MolecularWeight: 297.29881

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C#C)N2C(=NN(C2=S)C)C(F)(F)F

Isomeric SMILES

CC1=C(C=CC(=C1)C#C)N2C(=NN(C2=S)C)C(F)(F)F

InChI

InChI=1S/C13H10F3N3S/c1-4-9-5-6-10(8(2)7-9)19-11(13(14,15)16)17-18(3)12(19)20/h1,5-7H,2-3H3