N,N-diethyl-4-[4-methyl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline

Systemtic Name: N,N-diethyl-4-[4-methyl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Openeye Name: N,N-diethyl-4-[4-methyl-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline CAS Name: N,N-diethyl-4-[4-methyl-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]-1,2,4-triazol-3-yl]aniline IUPAC Name: N,N-diethyl-4-[4-methyl-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,4-triazol-3-yl]aniline Traditional Name: diethyl-[4-[4-methyl-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]-1,2,4-triazol-3-yl]phenyl]amine Formula: C22H29N5O3S2 MolecularWeight: 475.62736

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCN(CC)C1=CC=C(C=C1)C2=NN=C(N2C)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C22H29N5O3S2/c1-4-26(5-2)18-10-8-17(9-11-18)21-23-24-22(25(21)3)31-16-19-12-13-20(30-19)32(28,29)27-14-6-7-15-27/h8-13H,4-7,14-16H2,1-3H3