N-(1-cyanocyclohexyl)-N-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide

Systemtic Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]ethanamide Openeye Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide CAS Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[4-phenyl-5-(1-pyrrolidinylmethyl)-1,2,4-triazol-3-yl]thio]acetamide IUPAC Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]acetamide Traditional Name: N-(1-cyanocyclohexyl)-N-methyl-2-[[4-phenyl-5-(pyrrolidinomethyl)-1,2,4-triazol-3-yl]thio]acetamide Formula: C23H30N6OS MolecularWeight: 438.5889

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Descriptors Computed from Structure

Canonical SMILES:

CN(C(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3)C4(CCCCC4)C#N

Isomeric SMILES

CN(C(=O)CSC1=NN=C(N1C2=CC=CC=C2)CN3CCCC3)C4(CCCCC4)C#N

InChI

InChI=1S/C23H30N6OS/c1-27(23(18-24)12-6-3-7-13-23)21(30)17-31-22-26-25-20(16-28-14-8-9-15-28)29(22)19-10-4-2-5-11-19/h2,4-5,10-11H,3,6-9,12-17H2,1H3