1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one

Systemtic Name: 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Openeye Name: 1-(2-ethyl-1-piperidyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one CAS Name: 1-(2-ethyl-1-piperidinyl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]-1-propanone IUPAC Name: 1-(2-ethylpiperidin-1-yl)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)sulfanyl]propan-1-one Traditional Name: 1-(2-ethylpiperidino)-2-[(5-phenyl-1H-1,2,4-triazol-3-yl)thio]propan-1-one Formula: C18H24N4OS MolecularWeight: 344.47436

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Descriptors Computed from Structure

Canonical SMILES:

CCC1CCCCN1C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

Isomeric SMILES

CCC1CCCCN1C(=O)C(C)SC2=NNC(=N2)C3=CC=CC=C3

InChI

InChI=1S/C18H24N4OS/c1-3-15-11-7-8-12-22(15)17(23)13(2)24-18-19-16(20-21-18)14-9-5-4-6-10-14/h4-6,9-10,13,15H,3,7-8,11-12H2,1-2H3,(H,19,20,21)