2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenethiol

Systemtic Name: 2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenethiol Openeye Name: 4-isopropyl-2-methyl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenethiol CAS Name: 2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenethiol IUPAC Name: 2-methyl-4-propan-2-yl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenethiol Traditional Name: 4-isopropyl-2-methyl-5-[3-(trifluoromethyl)-1,2,4-triazol-1-yl]benzenethiol Formula: C13H14F3N3S MolecularWeight: 301.33057

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C(=C1)C(C)C)N2C=NC(=N2)C(F)(F)F)S

Isomeric SMILES

CC1=C(C=C(C(=C1)C(C)C)N2C=NC(=N2)C(F)(F)F)S

InChI

InChI=1S/C13H14F3N3S/c1-7(2)9-4-8(3)11(20)5-10(9)19-6-17-12(18-19)13(14,15)16/h4-7,20H,1-3H3