5-[(2-fluorophenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione

Systemtic Name: 5-[(2-fluorophenyl)amino]-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Openeye Name: 5-(2-fluoroanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione CAS Name: 5-(2-fluoroanilino)-3-(1-pyrrolidin-1-iumylmethyl)-1,3,4-thiadiazole-2-thione IUPAC Name: 5-(2-fluoroanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Traditional Name: 5-(2-fluoroanilino)-3-(pyrrolidin-1-ium-1-ylmethyl)-1,3,4-thiadiazole-2-thione Formula: C13H16FN4S2+ MolecularWeight: 311.421343

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CN2C(=S)SC(=N2)NC3=CC=CC=C3F

Isomeric SMILES

C1CC[NH+](C1)CN2C(=S)SC(=N2)NC3=CC=CC=C3F

InChI

InChI=1S/C13H15FN4S2/c14-10-5-1-2-6-11(10)15-12-16-18(13(19)20-12)9-17-7-3-4-8-17/h1-2,5-6H,3-4,7-9H2,(H,15,16)/p+1