1-[[3-morpholin-4-yl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide

Systemtic Name: 1-[[3-morpholin-4-yl-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-pyridin-2-yl-piperidine-3-carboxamide Openeye Name: 1-[(4-benzyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-(2-pyridyl)piperidine-3-carboxamide CAS Name: 1-[[3-(4-morpholinyl)-4-(phenylmethyl)-5-sulfanylidene-1,2,4-triazol-1-yl]methyl]-N-(2-pyridinyl)-3-piperidinecarboxamide IUPAC Name: 1-[(4-benzyl-3-morpholin-4-yl-5-sulfanylidene-1,2,4-triazol-1-yl)methyl]-N-pyridin-2-ylpiperidine-3-carboxamide Traditional Name: 1-[(4-benzyl-3-morpholino-5-thioxo-1,2,4-triazol-1-yl)methyl]-N-(2-pyridyl)nipecotamide Formula: C25H31N7O2S MolecularWeight: 493.62434

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)CN2C(=S)N(C(=N2)N3CCOCC3)CC4=CC=CC=C4)C(=O)NC5=CC=CC=N5

Isomeric SMILES

C1CC(CN(C1)CN2C(=S)N(C(=N2)N3CCOCC3)CC4=CC=CC=C4)C(=O)NC5=CC=CC=N5

InChI

InChI=1S/C25H31N7O2S/c33-23(27-22-10-4-5-11-26-22)21-9-6-12-29(18-21)19-32-25(35)31(17-20-7-2-1-3-8-20)24(28-32)30-13-15-34-16-14-30/h1-5,7-8,10-11,21H,6,9,12-19H2,(H,26,27,33)