4-(4-fluorophenyl)-3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole

Systemtic Name: 4-(4-fluorophenyl)-3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Openeye Name: 4-(4-fluorophenyl)-3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole CAS Name: 4-(4-fluorophenyl)-3-phenyl-5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,2,4-triazole IUPAC Name: 4-(4-fluorophenyl)-3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,2,4-triazole Traditional Name: 4-(4-fluorophenyl)-3-phenyl-5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,2,4-triazole Formula: C20H22FN4S+ MolecularWeight: 369.478883

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NN=C(N2C3=CC=C(C=C3)F)C4=CC=CC=C4

InChI

InChI=1S/C20H21FN4S/c21-17-8-10-18(11-9-17)25-19(16-6-2-1-3-7-16)22-23-20(25)26-15-14-24-12-4-5-13-24/h1-3,6-11H,4-5,12-15H2/p+1