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

Systemtic Name: 2-[[1-(2,3-dimethylphenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[1-(2,3-dimethylphenyl)-5-tetrazolyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[1-(2,3-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[1-(2,3-dimethylphenyl)tetrazol-5-yl]thio]-1-pyrrolidino-propan-1-one Formula: C16H21N5OS MolecularWeight: 331.43584

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=CC=C1)N2C(=NN=N2)SC(C)C(=O)N3CCCC3)C

Isomeric SMILES

CC1=C(C(=CC=C1)N2C(=NN=N2)SC(C)C(=O)N3CCCC3)C

InChI

InChI=1S/C16H21N5OS/c1-11-7-6-8-14(12(11)2)21-16(17-18-19-21)23-13(3)15(22)20-9-4-5-10-20/h6-8,13H,4-5,9-10H2,1-3H3