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

Systemtic Name: 2-(2-chloranyl-4-nitro-phenyl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-(2-chloro-4-nitro-phenyl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[(2-chloro-4-nitrophenyl)thio]-5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(2-chloro-4-nitrophenyl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-chloro-4-nitro-phenyl)thio]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C13H14ClN4O3S+ MolecularWeight: 341.79326

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(O2)SC3=C(C=C(C=C3)[N+](=O)[O-])Cl

InChI

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