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

Systemtic Name: (2R)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[4-(3-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C21H22N4O2S MolecularWeight: 394.48998

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=C1)N2C=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

COC1=CC=CC(=C1)N2C=NN=C2S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H22N4O2S/c1-27-18-11-7-10-17(14-18)25-15-22-23-21(25)28-19(16-8-3-2-4-9-16)20(26)24-12-5-6-13-24/h2-4,7-11,14-15,19H,5-6,12-13H2,1H3/t19-/m1/s1