1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone

Systemtic Name: 1-[4-(azepan-1-ylcarbonyl)piperidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[4-(azepane-1-carbonyl)-1-piperidyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[4-[1-azepanyl(oxo)methyl]-1-piperidinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[4-(azepane-1-carbonyl)piperidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[4-(azepane-1-carbonyl)piperidino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C19H31N5O2S MolecularWeight: 393.54674

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCC(CC2)C(=O)N3CCCCCC3

InChI

InChI=1S/C19H31N5O2S/c1-2-7-16-20-21-19(27)24(16)14-17(25)22-12-8-15(9-13-22)18(26)23-10-5-3-4-6-11-23/h15H,2-14H2,1H3,(H,21,27)