(2R)-2-phenyl-1-piperidin-1-yl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone

Systemtic Name: (2R)-2-phenyl-1-piperidin-1-yl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Openeye Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-2-phenyl-1-(1-piperidyl)ethanone CAS Name: (2R)-2-phenyl-1-(1-piperidinyl)-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]ethanone IUPAC Name: (2R)-2-phenyl-1-piperidin-1-yl-2-[(4-prop-2-enyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]ethanone Traditional Name: (2R)-2-[[4-allyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-2-phenyl-1-piperidino-ethanone Formula: C23H25N5OS MolecularWeight: 419.5425

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C=CCN1C(=NN=C1SC(C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=NC=C4

Isomeric SMILES

C=CCN1C(=NN=C1S[C@H](C2=CC=CC=C2)C(=O)N3CCCCC3)C4=CC=NC=C4

InChI

InChI=1S/C23H25N5OS/c1-2-15-28-21(19-11-13-24-14-12-19)25-26-23(28)30-20(18-9-5-3-6-10-18)22(29)27-16-7-4-8-17-27/h2-3,5-6,9-14,20H,1,4,7-8,15-17H2/t20-/m1/s1