(2R)-2-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone

Systemtic Name: (2R)-2-[[4-azanyl-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[[4-amino-5-[(4-methoxyphenyl)methyl]-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[(4-amino-5-p-anisyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C22H25N5O2S MolecularWeight: 423.5312

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)CC2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)CC2=NN=C(N2N)S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O2S/c1-29-18-11-9-16(10-12-18)15-19-24-25-22(27(19)23)30-20(17-7-3-2-4-8-17)21(28)26-13-5-6-14-26/h2-4,7-12,20H,5-6,13-15,23H2,1H3/t20-/m1/s1