3-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(2,4-dichlorophenyl)methylthio]-4-phenyl-5-(1-pyrrolidin-1-iumylmethyl)-1,2,4-triazole IUPAC Name: 3-[(2,4-dichlorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2,4-dichlorobenzyl)thio]-4-phenyl-5-(pyrrolidin-1-ium-1-ylmethyl)-1,2,4-triazole Formula: C20H21Cl2N4S+ MolecularWeight: 420.37854

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Descriptors Computed from Structure

Canonical SMILES:

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)Cl)Cl

Isomeric SMILES

C1CC[NH+](C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=C(C=C4)Cl)Cl

InChI

InChI=1S/C20H20Cl2N4S/c21-16-9-8-15(18(22)12-16)14-27-20-24-23-19(13-25-10-4-5-11-25)26(20)17-6-2-1-3-7-17/h1-3,6-9,12H,4-5,10-11,13-14H2/p+1