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

Systemtic Name: 2-[[1-(4-chlorophenyl)-1,2,3,4-tetrazol-5-yl]sulfanyl]-1-pyrrolidin-1-yl-propan-1-one Openeye Name: 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-yl-propan-1-one CAS Name: 2-[[1-(4-chlorophenyl)-5-tetrazolyl]thio]-1-(1-pyrrolidinyl)-1-propanone IUPAC Name: 2-[1-(4-chlorophenyl)tetrazol-5-yl]sulfanyl-1-pyrrolidin-1-ylpropan-1-one Traditional Name: 2-[[1-(4-chlorophenyl)tetrazol-5-yl]thio]-1-pyrrolidino-propan-1-one Formula: C14H16ClN5OS MolecularWeight: 337.82774

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N1CCCC1)SC2=NN=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

CC(C(=O)N1CCCC1)SC2=NN=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H16ClN5OS/c1-10(13(21)19-8-2-3-9-19)22-14-16-17-18-20(14)12-6-4-11(15)5-7-12/h4-7,10H,2-3,8-9H2,1H3