3-[4-cyclopropyl-5-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide

Systemtic Name: 3-[4-cyclopropyl-5-(2-oxidanylidene-1-phenyl-2-piperidin-1-yl-ethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Openeye Name: 3-[4-cyclopropyl-5-[2-oxo-1-phenyl-2-(1-piperidyl)ethyl]sulfanyl-1,2,4-triazol-3-yl]propanamide CAS Name: 3-[4-cyclopropyl-5-[[2-oxo-1-phenyl-2-(1-piperidinyl)ethyl]thio]-1,2,4-triazol-3-yl]propanamide IUPAC Name: 3-[4-cyclopropyl-5-(2-oxo-1-phenyl-2-piperidin-1-ylethyl)sulfanyl-1,2,4-triazol-3-yl]propanamide Traditional Name: 3-[4-cyclopropyl-5-[(2-keto-1-phenyl-2-piperidino-ethyl)thio]-1,2,4-triazol-3-yl]propionamide Formula: C21H27N5O2S MolecularWeight: 413.53638

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)CCC(=O)N

Isomeric SMILES

C1CCN(CC1)C(=O)C(C2=CC=CC=C2)SC3=NN=C(N3C4CC4)CCC(=O)N

InChI

InChI=1S/C21H27N5O2S/c22-17(27)11-12-18-23-24-21(26(18)16-9-10-16)29-19(15-7-3-1-4-8-15)20(28)25-13-5-2-6-14-25/h1,3-4,7-8,16,19H,2,5-6,9-14H2,(H2,22,27)