2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: 2-[[1-(2-methoxy-5-methyl-phenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[[1-(2-methoxy-5-methylphenyl)-5-tetrazolyl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[1-(2-methoxy-5-methylphenyl)tetrazol-5-yl]sulfanyl-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[[1-(2-methoxy-5-methyl-phenyl)tetrazol-5-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C21H23N5O2S MolecularWeight: 409.50462

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC(=C(C=C1)OC)N2C(=NN=N2)SC(C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H23N5O2S/c1-15-10-11-18(28-2)17(14-15)26-21(22-23-24-26)29-19(16-8-4-3-5-9-16)20(27)25-12-6-7-13-25/h3-5,8-11,14,19H,6-7,12-13H2,1-2H3