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

Systemtic Name: 1-phenyl-4-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Openeye Name: 1-phenyl-4-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]butan-1-one CAS Name: 1-phenyl-4-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-1-butanone IUPAC Name: 1-phenyl-4-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]butan-1-one Traditional Name: 1-phenyl-4-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]butan-1-one Formula: C25H30N4OS MolecularWeight: 434.5969

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)C3=CC=CC=C3)N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SCCCC(=O)C3=CC=CC=C3)N4CCCCC4

InChI

InChI=1S/C25H30N4OS/c1-20(28-17-9-4-10-18-28)24-26-27-25(29(24)22-14-7-3-8-15-22)31-19-11-16-23(30)21-12-5-2-6-13-21/h2-3,5-8,12-15,20H,4,9-11,16-19H2,1H3