1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-methyl-4-phenyl-1,2,3-triazole

Systemtic Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-methyl-4-phenyl-1,2,3-triazole Openeye Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonyl-methyl]-5-methyl-4-phenyl-triazole CAS Name: 1-[[4-[(4-methoxyphenyl)methylthio]-2-pyrrolidinyl]-methylsulfonylmethyl]-5-methyl-4-phenyltriazole IUPAC Name: 1-[[4-[(4-methoxyphenyl)methylsulfanyl]pyrrolidin-2-yl]-methylsulfonylmethyl]-5-methyl-4-phenyltriazole Traditional Name: 1-[mesyl-[4-(p-anisylthio)pyrrolidin-2-yl]methyl]-5-methyl-4-phenyl-triazole Formula: C23H28N4O3S2 MolecularWeight: 472.62342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(N=NN1C(C2CC(CN2)SCC3=CC=C(C=C3)OC)S(=O)(=O)C)C4=CC=CC=C4

Isomeric SMILES

CC1=C(N=NN1C(C2CC(CN2)SCC3=CC=C(C=C3)OC)S(=O)(=O)C)C4=CC=CC=C4

InChI

InChI=1S/C23H28N4O3S2/c1-16-22(18-7-5-4-6-8-18)25-26-27(16)23(32(3,28)29)21-13-20(14-24-21)31-15-17-9-11-19(30-2)12-10-17/h4-12,20-21,23-24H,13-15H2,1-3H3