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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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