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

Systemtic Name: 1-[2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]sulfanyl]ethanoyl]piperidine-4-carboxamide Openeye Name: 1-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]sulfanyl]acetyl]piperidine-4-carboxamide CAS Name: 1-[1-oxo-2-[[4-(phenylmethyl)-5-thiophen-2-yl-1,2,4-triazol-3-yl]thio]ethyl]-4-piperidinecarboxamide IUPAC Name: 1-[2-[(4-benzyl-5-thiophen-2-yl-1,2,4-triazol-3-yl)sulfanyl]acetyl]piperidine-4-carboxamide Traditional Name: 1-[2-[[4-benzyl-5-(2-thienyl)-1,2,4-triazol-3-yl]thio]acetyl]isonipecotamide Formula: C21H23N5O2S2 MolecularWeight: 441.56962

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCC1C(=O)N)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

Isomeric SMILES

C1CN(CCC1C(=O)N)C(=O)CSC2=NN=C(N2CC3=CC=CC=C3)C4=CC=CS4

InChI

InChI=1S/C21H23N5O2S2/c22-19(28)16-8-10-25(11-9-16)18(27)14-30-21-24-23-20(17-7-4-12-29-17)26(21)13-15-5-2-1-3-6-15/h1-7,12,16H,8-11,13-14H2,(H2,22,28)