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

Systemtic Name: 1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Openeye Name: 1-[3-(1,3-benzoxazol-2-yl)-1-piperidyl]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone CAS Name: 1-[3-(1,3-benzoxazol-2-yl)-1-piperidinyl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone IUPAC Name: 1-[3-(1,3-benzoxazol-2-yl)piperidin-1-yl]-2-(3-propyl-5-sulfanylidene-1H-1,2,4-triazol-4-yl)ethanone Traditional Name: 1-[3-(1,3-benzoxazol-2-yl)piperidino]-2-(3-propyl-5-thioxo-1H-1,2,4-triazol-4-yl)ethanone Formula: C19H23N5O2S MolecularWeight: 385.48322

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Descriptors Computed from Structure

Canonical SMILES:

CCCC1=NNC(=S)N1CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3

Isomeric SMILES

CCCC1=NNC(=S)N1CC(=O)N2CCCC(C2)C3=NC4=CC=CC=C4O3

InChI

InChI=1S/C19H23N5O2S/c1-2-6-16-21-22-19(27)24(16)12-17(25)23-10-5-7-13(11-23)18-20-14-8-3-4-9-15(14)26-18/h3-4,8-9,13H,2,5-7,10-12H2,1H3,(H,22,27)