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

Systemtic Name: (3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]ethanoyl]piperidine-3-carboxamide Openeye Name: (3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide CAS Name: (3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]-1-oxoethyl]-3-piperidinecarboxamide IUPAC Name: (3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-3-carboxamide Traditional Name: (3R)-1-[2-[(5-methyl-4-phenyl-1,2,4-triazol-3-yl)thio]acetyl]nipecotamide Formula: C17H21N5O2S MolecularWeight: 359.44594

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCCC(C3)C(=O)N

Isomeric SMILES

CC1=NN=C(N1C2=CC=CC=C2)SCC(=O)N3CCC[C@H](C3)C(=O)N

InChI

InChI=1S/C17H21N5O2S/c1-12-19-20-17(22(12)14-7-3-2-4-8-14)25-11-15(23)21-9-5-6-13(10-21)16(18)24/h2-4,7-8,13H,5-6,9-11H2,1H3,(H2,18,24)/t13-/m1/s1