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

Systemtic Name: (2R)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[[4-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[[4-(o-tolyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C21H22N4OS MolecularWeight: 378.49058

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1N2C=NN=C2SC(C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=CC=CC=C1N2C=NN=C2S[C@H](C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H22N4OS/c1-16-9-5-6-12-18(16)25-15-22-23-21(25)27-19(17-10-3-2-4-11-17)20(26)24-13-7-8-14-24/h2-6,9-12,15,19H,7-8,13-14H2,1H3/t19-/m1/s1