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

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

CN1C(=NN=C1SCC(=O)N2CCCC(C2)C(=O)N)C3=CC=CC=C3

Isomeric SMILES

CN1C(=NN=C1SCC(=O)N2CCCC(C2)C(=O)N)C3=CC=CC=C3

InChI

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