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

Systemtic Name: 1-(5-methylthiophen-2-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Openeye Name: 1-(5-methyl-2-thienyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone CAS Name: 1-(5-methyl-2-thiophenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]ethanone IUPAC Name: 1-(5-methylthiophen-2-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanone Traditional Name: 1-(5-methyl-2-thienyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]ethanone Formula: C21H24N4OS2 MolecularWeight: 412.57146

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

Isomeric SMILES

CC1=CC=C(S1)C(=O)CSC2=NN=C(N2C3=CC=CC=C3)CN4CCCCC4

InChI

InChI=1S/C21H24N4OS2/c1-16-10-11-19(28-16)18(26)15-27-21-23-22-20(14-24-12-6-3-7-13-24)25(21)17-8-4-2-5-9-17/h2,4-5,8-11H,3,6-7,12-15H2,1H3