N-(6-methylpyridin-2-yl)-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidine-4-carboxamide

Systemtic Name: N-(6-methylpyridin-2-yl)-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidine-4-carboxamide Openeye Name: N-(6-methyl-2-pyridyl)-1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]piperidine-4-carboxamide CAS Name: N-(6-methyl-2-pyridinyl)-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]-4-piperidinecarboxamide IUPAC Name: N-(6-methylpyridin-2-yl)-1-[(5-phenyl-3-sulfanylidene-1H-1,2,4-triazol-2-yl)methyl]piperidine-4-carboxamide Traditional Name: N-(6-methyl-2-pyridyl)-1-[(5-phenyl-3-thioxo-1H-1,2,4-triazol-2-yl)methyl]isonipecotamide Formula: C21H24N6OS MolecularWeight: 408.51986

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

Isomeric SMILES

CC1=NC(=CC=C1)NC(=O)C2CCN(CC2)CN3C(=S)N=C(N3)C4=CC=CC=C4

InChI

InChI=1S/C21H24N6OS/c1-15-6-5-9-18(22-15)23-20(28)17-10-12-26(13-11-17)14-27-21(29)24-19(25-27)16-7-3-2-4-8-16/h2-9,17H,10-14H2,1H3,(H,22,23,28)(H,24,25,29)