2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(4-chloranyl-2-nitro-phenyl)sulfanyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-(4-chloro-2-nitro-phenyl)sulfanyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[(4-chloro-2-nitrophenyl)thio]-5-(1-pyrrolidinylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(4-chloro-2-nitrophenyl)sulfanyl-5-(pyrrolidin-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[(4-chloro-2-nitro-phenyl)thio]-5-(pyrrolidinomethyl)-1,3,4-oxadiazole Formula: C13H13ClN4O3S MolecularWeight: 340.78532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H13ClN4O3S/c14-9-3-4-11(10(7-9)18(19)20)22-13-16-15-12(21-13)8-17-5-1-2-6-17/h3-4,7H,1-2,5-6,8H2