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

Systemtic Name: 1-phenyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Openeye Name: 1-phenyl-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one CAS Name: 1-phenyl-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]-1-propanone IUPAC Name: 1-phenyl-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propan-1-one Traditional Name: 1-phenyl-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]propan-1-one Formula: C23H26N4OS MolecularWeight: 406.54374

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)SC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C23H26N4OS/c1-18(22(28)19-11-5-2-6-12-19)29-23-25-24-21(17-26-15-9-4-10-16-26)27(23)20-13-7-3-8-14-20/h2-3,5-8,11-14,18H,4,9-10,15-17H2,1H3