2-methyl-4-(4-pyrrolidin-1-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione

Systemtic Name: 2-methyl-4-(4-pyrrolidin-1-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione Openeye Name: 2-methyl-4-(4-pyrrolidin-1-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione CAS Name: 2-methyl-4-[4-(1-pyrrolidinyl)phenyl]-5-(trifluoromethyl)-1,2,4-triazole-3-thione IUPAC Name: 2-methyl-4-(4-pyrrolidin-1-ylphenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione Traditional Name: 2-methyl-4-(4-pyrrolidinophenyl)-5-(trifluoromethyl)-1,2,4-triazole-3-thione Formula: C14H15F3N4S MolecularWeight: 328.35591

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C(=S)N(C(=N1)C(F)(F)F)C2=CC=C(C=C2)N3CCCC3

Isomeric SMILES

CN1C(=S)N(C(=N1)C(F)(F)F)C2=CC=C(C=C2)N3CCCC3

InChI

InChI=1S/C14H15F3N4S/c1-19-13(22)21(12(18-19)14(15,16)17)11-6-4-10(5-7-11)20-8-2-3-9-20/h4-7H,2-3,8-9H2,1H3