1-(4-chlorophenyl)-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea

Systemtic Name: 1-(4-chlorophenyl)-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Openeye Name: 1-(4-chlorophenyl)-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea CAS Name: 1-(4-chlorophenyl)-3-[5-[2-(1-pyrrolidin-1-iumyl)ethylthio]-1,3,4-thiadiazol-2-yl]urea IUPAC Name: 1-(4-chlorophenyl)-3-[5-(2-pyrrolidin-1-ium-1-ylethylsulfanyl)-1,3,4-thiadiazol-2-yl]urea Traditional Name: 1-(4-chlorophenyl)-3-[5-(2-pyrrolidin-1-ium-1-ylethylthio)-1,3,4-thiadiazol-2-yl]urea Formula: C15H19ClN5OS2+ MolecularWeight: 384.92726

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CCSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1CC[NH+](C1)CCSC2=NN=C(S2)NC(=O)NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C15H18ClN5OS2/c16-11-3-5-12(6-4-11)17-13(22)18-14-19-20-15(24-14)23-10-9-21-7-1-2-8-21/h3-6H,1-2,7-10H2,(H2,17,18,19,22)/p+1