(2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone

Systemtic Name: (2R)-2-[(4-azanyl-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-yl-ethanone Openeye Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-(1-piperidinyl)ethanone IUPAC Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)sulfanyl]-2-phenyl-1-piperidin-1-ylethanone Traditional Name: (2R)-2-[(4-amino-5-cyclopropyl-1,2,4-triazol-3-yl)thio]-2-phenyl-1-piperidino-ethanone Formula: C18H23N5OS MolecularWeight: 357.47312

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

Isomeric SMILES

C1CCN(CC1)C(=O)[C@@H](C2=CC=CC=C2)SC3=NN=C(N3N)C4CC4

InChI

InChI=1S/C18H23N5OS/c19-23-16(14-9-10-14)20-21-18(23)25-15(13-7-3-1-4-8-13)17(24)22-11-5-2-6-12-22/h1,3-4,7-8,14-15H,2,5-6,9-12,19H2/t15-/m1/s1