3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one

Systemtic Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Openeye Name: 3-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]butan-2-one CAS Name: 3-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]-2-butanone IUPAC Name: 3-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]butan-2-one Traditional Name: 3-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]butan-2-one Formula: C17H22N4OS MolecularWeight: 330.44778

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

Isomeric SMILES

CC(C(=O)C)SC1=NN=C(N1C2=CC=CC=C2)N3CCCCC3

InChI

InChI=1S/C17H22N4OS/c1-13(22)14(2)23-17-19-18-16(20-11-7-4-8-12-20)21(17)15-9-5-3-6-10-15/h3,5-6,9-10,14H,4,7-8,11-12H2,1-2H3