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

Systemtic Name: (2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-[(4,5-dimethyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C16H20N4OS MolecularWeight: 316.4212

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C)SC(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CC1=NN=C(N1C)S[C@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C16H20N4OS/c1-12-17-18-16(19(12)2)22-14(13-8-4-3-5-9-13)15(21)20-10-6-7-11-20/h3-5,8-9,14H,6-7,10-11H2,1-2H3/t14-/m1/s1