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

Systemtic Name: 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Openeye Name: 2-[[4-phenyl-5-[1-(1-piperidyl)ethyl]-1,2,4-triazol-3-yl]sulfanyl]cycloheptanone CAS Name: 2-[[4-phenyl-5-[1-(1-piperidinyl)ethyl]-1,2,4-triazol-3-yl]thio]-1-cycloheptanone IUPAC Name: 2-[[4-phenyl-5-(1-piperidin-1-ylethyl)-1,2,4-triazol-3-yl]sulfanyl]cycloheptan-1-one Traditional Name: 2-[[4-phenyl-5-(1-piperidinoethyl)-1,2,4-triazol-3-yl]thio]cycloheptanone Formula: C22H30N4OS MolecularWeight: 398.5648

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=NN=C(N1C2=CC=CC=C2)SC3CCCCCC3=O)N4CCCCC4

Isomeric SMILES

CC(C1=NN=C(N1C2=CC=CC=C2)SC3CCCCCC3=O)N4CCCCC4

InChI

InChI=1S/C22H30N4OS/c1-17(25-15-9-4-10-16-25)21-23-24-22(26(21)18-11-5-2-6-12-18)28-20-14-8-3-7-13-19(20)27/h2,5-6,11-12,17,20H,3-4,7-10,13-16H2,1H3