2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone

Systemtic Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-yl-ethanone Openeye Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(1-piperidyl)ethanone CAS Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)thio]-1-(1-piperidinyl)ethanone IUPAC Name: 2-[(4-butyl-5-pyridin-4-yl-1,2,4-triazol-3-yl)sulfanyl]-1-piperidin-1-ylethanone Traditional Name: 2-[[4-butyl-5-(4-pyridyl)-1,2,4-triazol-3-yl]thio]-1-piperidino-ethanone Formula: C18H25N5OS MolecularWeight: 359.489

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=NC=C3

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)N2CCCCC2)C3=CC=NC=C3

InChI

InChI=1S/C18H25N5OS/c1-2-3-13-23-17(15-7-9-19-10-8-15)20-21-18(23)25-14-16(24)22-11-5-4-6-12-22/h7-10H,2-6,11-14H2,1H3