3-[(4-fluorophenyl)methylsulfanyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole

Systemtic Name: 3-[(4-fluorophenyl)methylsulfanyl]-4-(phenylmethyl)-5-pyrrolidin-2-yl-1,2,4-triazole Openeye Name: 4-benzyl-3-[(4-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole CAS Name: 3-[(4-fluorophenyl)methylthio]-4-(phenylmethyl)-5-(2-pyrrolidinyl)-1,2,4-triazole IUPAC Name: 4-benzyl-3-[(4-fluorophenyl)methylsulfanyl]-5-pyrrolidin-2-yl-1,2,4-triazole Traditional Name: 4-benzyl-3-[(4-fluorobenzyl)thio]-5-pyrrolidin-2-yl-1,2,4-triazole Formula: C20H21FN4S MolecularWeight: 368.470943

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)F

Isomeric SMILES

C1CC(NC1)C2=NN=C(N2CC3=CC=CC=C3)SCC4=CC=C(C=C4)F

InChI

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