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

Systemtic Name: (2R)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone Openeye Name: (2R)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-yl-ethanone CAS Name: (2R)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-(1-pyrrolidinyl)ethanone IUPAC Name: (2R)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-1-pyrrolidin-1-ylethanone Traditional Name: (2R)-2-phenyl-2-[(5-propyl-1H-1,2,4-triazol-3-yl)thio]-1-pyrrolidino-ethanone Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NC(=NN1)SC(C2=CC=CC=C2)C(=O)N3CCCC3

Isomeric SMILES

CCCC1=NC(=NN1)S[C@H](C2=CC=CC=C2)C(=O)N3CCCC3

InChI

InChI=1S/C17H22N4OS/c1-2-8-14-18-17(20-19-14)23-15(13-9-4-3-5-10-13)16(22)21-11-6-7-12-21/h3-5,9-10,15H,2,6-8,11-12H2,1H3,(H,18,19,20)/t15-/m1/s1