1-(4-butylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,3,4-tetrazole

Systemtic Name: 1-(4-butylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]-1,2,3,4-tetrazole Openeye Name: 1-(4-butylphenyl)-5-[(5-pyrrolidin-1-ylsulfonyl-2-furyl)methylsulfanyl]tetrazole CAS Name: 1-(4-butylphenyl)-5-[[5-(1-pyrrolidinylsulfonyl)-2-furanyl]methylthio]tetrazole IUPAC Name: 1-(4-butylphenyl)-5-[(5-pyrrolidin-1-ylsulfonylfuran-2-yl)methylsulfanyl]tetrazole Traditional Name: 1-(4-butylphenyl)-5-[(5-pyrrolidinosulfonyl-2-furyl)methylthio]tetrazole Formula: C20H25N5O3S2 MolecularWeight: 447.5742

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

Isomeric SMILES

CCCCC1=CC=C(C=C1)N2C(=NN=N2)SCC3=CC=C(O3)S(=O)(=O)N4CCCC4

InChI

InChI=1S/C20H25N5O3S2/c1-2-3-6-16-7-9-17(10-8-16)25-20(21-22-23-25)29-15-18-11-12-19(28-18)30(26,27)24-13-4-5-14-24/h7-12H,2-6,13-15H2,1H3