2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methyl-butan-2-yl)propanamide Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyano-1,2-dimethyl-propyl)propanamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(2-cyano-3-methylbutan-2-yl)propanamide IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(2-cyano-3-methylbutan-2-yl)propanamide Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyano-1,2-dimethyl-propyl)propionamide Formula: C22H31N5O2S MolecularWeight: 429.57884

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC(C)(C#N)C(C)C)C2=CC=C(C=C2)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC(C)(C#N)C(C)C)C2=CC=C(C=C2)OC

InChI

InChI=1S/C22H31N5O2S/c1-7-8-13-27-19(17-9-11-18(29-6)12-10-17)25-26-21(27)30-16(4)20(28)24-22(5,14-23)15(2)3/h9-12,15-16H,7-8,13H2,1-6H3,(H,24,28)