3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one Openeye Name: 3-[2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]ethyl]-1,3-benzoxazol-2-one CAS Name: 3-[2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]ethyl]-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]ethyl]-1,3-benzoxazol-2-one Formula: C22H23N5O2S MolecularWeight: 421.51532

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCN4C5=CC=CC=C5OC4=O

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCCN4C5=CC=CC=C5OC4=O

InChI

InChI=1S/C22H23N5O2S/c28-22-26(18-11-5-6-12-19(18)29-22)15-16-30-21-24-23-20(25-13-7-2-8-14-25)27(21)17-9-3-1-4-10-17/h1,3-6,9-12H,2,7-8,13-16H2