N-(3-cyanothiophen-2-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(3-cyanothiophen-2-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(3-cyano-2-thienyl)-2-[[4-phenyl-5-(1-piperidylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(3-cyano-2-thiophenyl)-2-[[4-phenyl-5-(1-piperidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(3-cyanothiophen-2-yl)-2-[[4-phenyl-5-(piperidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(3-cyano-2-thienyl)-2-[[4-phenyl-5-(piperidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C21H22N6OS2 MolecularWeight: 438.56898

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C#N

Isomeric SMILES

C1CCN(CC1)CC2=NN=C(N2C3=CC=CC=C3)SCC(=O)NC4=C(C=CS4)C#N

InChI

InChI=1S/C21H22N6OS2/c22-13-16-9-12-29-20(16)23-19(28)15-30-21-25-24-18(14-26-10-5-2-6-11-26)27(21)17-7-3-1-4-8-17/h1,3-4,7-9,12H,2,5-6,10-11,14-15H2,(H,23,28)