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

Systemtic Name: 5-[(4-tert-butylphenyl)sulfanylmethyl]-3-(2-chloranyl-6-fluoranyl-phenyl)-1-methyl-1,2,4-triazole Openeye Name: 5-[(4-tert-butylphenyl)sulfanylmethyl]-3-(2-chloro-6-fluoro-phenyl)-1-methyl-1,2,4-triazole CAS Name: 5-[[(4-tert-butylphenyl)thio]methyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1,2,4-triazole IUPAC Name: 5-[(4-tert-butylphenyl)sulfanylmethyl]-3-(2-chloro-6-fluorophenyl)-1-methyl-1,2,4-triazole Traditional Name: 5-[[(4-tert-butylphenyl)thio]methyl]-3-(2-chloro-6-fluoro-phenyl)-1-methyl-1,2,4-triazole Formula: C20H21ClFN3S MolecularWeight: 389.917243

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)SCC2=NC(=NN2C)C3=C(C=CC=C3Cl)F

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)SCC2=NC(=NN2C)C3=C(C=CC=C3Cl)F

InChI

InChI=1S/C20H21ClFN3S/c1-20(2,3)13-8-10-14(11-9-13)26-12-17-23-19(24-25(17)4)18-15(21)6-5-7-16(18)22/h5-11H,12H2,1-4H3