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

Systemtic Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone Openeye Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-yl-ethanone CAS Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-pyrrolidinyl)ethanone IUPAC Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-pyrrolidin-1-ylethanone Traditional Name: 2-[(5-cyclopropyl-1H-1,2,4-triazol-3-yl)thio]-2-phenyl-1-pyrrolidino-ethanone Formula: C17H20N4OS MolecularWeight: 328.4319

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4

Isomeric SMILES

C1CCN(C1)C(=O)C(C2=CC=CC=C2)SC3=NNC(=N3)C4CC4

InChI

InChI=1S/C17H20N4OS/c22-16(21-10-4-5-11-21)14(12-6-2-1-3-7-12)23-17-18-15(19-20-17)13-8-9-13/h1-3,6-7,13-14H,4-5,8-11H2,(H,18,19,20)