4-(2,4-dimethylphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole

Systemtic Name: 4-(2,4-dimethylphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2,4-dimethylphenyl)-3-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2,4-dimethylphenyl)-3-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazole IUPAC Name: 4-(2,4-dimethylphenyl)-3-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2,4-dimethylphenyl)-3-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazole Formula: C19H22N4O3S2 MolecularWeight: 418.53298

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=C(C=C1)N2C=NN=C2SCC3=CC=C(O3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C19H22N4O3S2/c1-14-5-7-17(15(2)11-14)23-13-20-21-19(23)27-12-16-6-8-18(26-16)28(24,25)22-9-3-4-10-22/h5-8,11,13H,3-4,9-10,12H2,1-2H3