(2R)-N-(furan-2-ylmethyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: (2R)-N-(furan-2-ylmethyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: (2R)-N-(2-furylmethyl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide CAS Name: (2R)-N-(2-furanylmethyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]propanamide IUPAC Name: (2R)-N-(furan-2-ylmethyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: (2R)-N-(2-furfuryl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NCC1=CC=CO1)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

C[C@H](C(=O)NCC1=CC=CO1)SC2=NN=C(N2C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C21H25N5O2S/c1-16(19(27)22-15-18-11-8-14-28-18)29-21-24-23-20(25-12-6-3-7-13-25)26(21)17-9-4-2-5-10-17/h2,4-5,8-11,14,16H,3,6-7,12-13,15H2,1H3,(H,22,27)/t16-/m1/s1