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

Systemtic Name: 4-(2-chlorophenyl)-3-pyrrolidin-1-yl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Openeye Name: 4-(2-chlorophenyl)-3-pyrrolidin-1-yl-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazole CAS Name: 4-(2-chlorophenyl)-3-(1-pyrrolidinyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazole IUPAC Name: 4-(2-chlorophenyl)-3-pyrrolidin-1-yl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazole Traditional Name: 4-(2-chlorophenyl)-3-pyrrolidino-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazole Formula: C21H24ClN5O3S2 MolecularWeight: 494.02996

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=CC=C(O4)S(=O)(=O)N5CCCC5

Isomeric SMILES

C1CCN(C1)C2=NN=C(N2C3=CC=CC=C3Cl)SCC4=CC=C(O4)S(=O)(=O)N5CCCC5

InChI

InChI=1S/C21H24ClN5O3S2/c22-17-7-1-2-8-18(17)27-20(25-11-3-4-12-25)23-24-21(27)31-15-16-9-10-19(30-16)32(28,29)26-13-5-6-14-26/h1-2,7-10H,3-6,11-15H2