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

Systemtic Name: N,N-bis(2-cyanoethyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]ethanamide Openeye Name: N,N-bis(2-cyanoethyl)-2-[[4-phenyl-5-(1-piperidyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N,N-bis(2-cyanoethyl)-2-[[4-phenyl-5-(1-piperidinyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N,N-bis(2-cyanoethyl)-2-[(4-phenyl-5-piperidin-1-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide Traditional Name: N,N-bis(2-cyanoethyl)-2-[(4-phenyl-5-piperidino-1,2,4-triazol-3-yl)thio]acetamide Formula: C21H25N7OS MolecularWeight: 423.5345

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(CCC#N)CCC#N

Isomeric SMILES

C1CCN(CC1)C2=NN=C(N2C3=CC=CC=C3)SCC(=O)N(CCC#N)CCC#N

InChI

InChI=1S/C21H25N7OS/c22-11-7-15-26(16-8-12-23)19(29)17-30-21-25-24-20(27-13-5-2-6-14-27)28(21)18-9-3-1-4-10-18/h1,3-4,9-10H,2,5-8,13-17H2