2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine

Systemtic Name: 2-[[1-(3,5-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-5-pyrrolidin-1-ylsulfonyl-pyridine Openeye Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-5-pyrrolidin-1-ylsulfonyl-pyridine CAS Name: 2-[[1-(3,5-dimethylphenyl)-5-tetrazolyl]thio]-5-(1-pyrrolidinylsulfonyl)pyridine IUPAC Name: 2-[1-(3,5-dimethylphenyl)tetrazol-5-yl]sulfanyl-5-pyrrolidin-1-ylsulfonylpyridine Traditional Name: 2-[[1-(3,5-dimethylphenyl)tetrazol-5-yl]thio]-5-pyrrolidinosulfonyl-pyridine Formula: C18H20N6O2S2 MolecularWeight: 416.5204

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1)N2C(=NN=N2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

Isomeric SMILES

CC1=CC(=CC(=C1)N2C(=NN=N2)SC3=NC=C(C=C3)S(=O)(=O)N4CCCC4)C

InChI

InChI=1S/C18H20N6O2S2/c1-13-9-14(2)11-15(10-13)24-18(20-21-22-24)27-17-6-5-16(12-19-17)28(25,26)23-7-3-4-8-23/h5-6,9-12H,3-4,7-8H2,1-2H3