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

Systemtic Name: 1-phenyl-2-[[4-(phenylmethyl)-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 2-[[4-benzyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenyl-propan-1-one CAS Name: 1-phenyl-2-[[4-(phenylmethyl)-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 2-[[4-benzyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]-1-phenylpropan-1-one Traditional Name: 2-[[4-benzyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]-1-phenyl-propan-1-one Formula: C24H28N4OS MolecularWeight: 420.57032

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2CC3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H28N4OS/c1-19(23(29)21-13-7-3-8-14-21)30-24-26-25-22(18-27-15-9-4-10-16-27)28(24)17-20-11-5-2-6-12-20/h2-3,5-8,11-14,19H,4,9-10,15-18H2,1H3