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

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

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C2=NN=C(N2N)SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CCOC1=CC=C(C=C1)C2=NN=C(N2N)S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C22H25N5O2S/c1-2-29-18-12-10-17(11-13-18)20-24-25-22(27(20)23)30-19(16-8-4-3-5-9-16)21(28)26-14-6-7-15-26/h3-5,8-13,19H,2,6-7,14-15,23H2,1H3/t19-/m1/s1