(3R)-1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide

Systemtic Name: (3R)-1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(5-cyclopropyl-1-phenyl-1,2,4-triazol-3-yl)thio]acetyl]nipecotamide Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C(=O)N

Isomeric SMILES

C1C[C@H](CN(C1)C(=O)CSC2=NN(C(=N2)C3CC3)C4=CC=CC=C4)C(=O)N

InChI

InChI=1S/C19H23N5O2S/c20-17(26)14-5-4-10-23(11-14)16(25)12-27-19-21-18(13-8-9-13)24(22-19)15-6-2-1-3-7-15/h1-3,6-7,13-14H,4-5,8-12H2,(H2,20,26)/t14-/m1/s1