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

Systemtic Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)ethanamide Openeye Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide CAS Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)acetamide IUPAC Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyanophenyl)acetamide Traditional Name: 2-[[4-butyl-5-[(1S)-1-(dimethylamino)propyl]-1,2,4-triazol-3-yl]thio]-N-(2-cyanophenyl)acetamide Formula: C20H28N6OS MolecularWeight: 400.54092

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)C(CC)N(C)C

Isomeric SMILES

CCCCN1C(=NN=C1SCC(=O)NC2=CC=CC=C2C#N)[C@H](CC)N(C)C

InChI

InChI=1S/C20H28N6OS/c1-5-7-12-26-19(17(6-2)25(3)4)23-24-20(26)28-14-18(27)22-16-11-9-8-10-15(16)13-21/h8-11,17H,5-7,12,14H2,1-4H3,(H,22,27)/t17-/m0/s1