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

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

C1CCN(C1)C(=O)CCSC2=NN=NN2C3=CC=C(C=C3)Cl

Isomeric SMILES

C1CCN(C1)C(=O)CCSC2=NN=NN2C3=CC=C(C=C3)Cl

InChI

InChI=1S/C14H16ClN5OS/c15-11-3-5-12(6-4-11)20-14(16-17-18-20)22-10-7-13(21)19-8-1-2-9-19/h3-6H,1-2,7-10H2