2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)ethanamide

Systemtic Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)ethanamide Openeye Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide CAS Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide IUPAC Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)acetamide Traditional Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)acetamide Formula: C20H34N6OS MolecularWeight: 406.58856

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)C(CC)N(C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2(CCCCC2)C#N)[C@H](CC)N(C)C

InChI

InChI=1S/C20H34N6OS/c1-5-7-13-26-18(16(6-2)25(3)4)23-24-19(26)28-14-17(27)22-20(15-21)11-9-8-10-12-20/h16H,5-14H2,1-4H3,(H,22,27)/t16-/m0/s1