3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole

Systemtic Name: 3-[(2-chloranyl-6-fluoranyl-phenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Openeye Name: 3-[(2-chloro-6-fluoro-phenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole CAS Name: 3-[(2-chloro-6-fluorophenyl)methylthio]-4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazole IUPAC Name: 3-[(2-chloro-6-fluorophenyl)methylsulfanyl]-4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazole Traditional Name: 3-[(2-chloro-6-fluoro-benzyl)thio]-4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazole Formula: C20H20ClFN4S MolecularWeight: 402.916003

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

Isomeric SMILES

C1CCN(C1)CC2=NN=C(N2C3=CC=CC=C3)SCC4=C(C=CC=C4Cl)F

InChI

InChI=1S/C20H20ClFN4S/c21-17-9-6-10-18(22)16(17)14-27-20-24-23-19(13-25-11-4-5-12-25)26(20)15-7-2-1-3-8-15/h1-3,6-10H,4-5,11-14H2