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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CCC1=CC=C(C=C1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C24H28N4OS/c1-2-19-11-13-20(14-12-19)22(29)18-30-24-26-25-23(17-27-15-7-4-8-16-27)28(24)21-9-5-3-6-10-21/h3,5-6,9-14H,2,4,7-8,15-18H2,1H3