2-(2-nitrophenyl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole

Systemtic Name: 2-(2-nitrophenyl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Openeye Name: 2-(2-nitrophenyl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole CAS Name: 2-[(2-nitrophenyl)thio]-5-(1-pyrrolidin-1-iumylmethyl)-1,3,4-oxadiazole IUPAC Name: 2-(2-nitrophenyl)sulfanyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Traditional Name: 2-[(2-nitrophenyl)thio]-5-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-oxadiazole Formula: C13H15N4O3S+ MolecularWeight: 307.3482

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14N4O3S/c18-17(19)10-5-1-2-6-11(10)21-13-15-14-12(20-13)9-16-7-3-4-8-16/h1-2,5-6H,3-4,7-9H2/p+1