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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)propanamide IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(1-cyanocyclohexyl)propanamide Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(1-cyanocyclohexyl)propionamide Formula: C23H31N5O2S MolecularWeight: 441.58954

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC2(CCCCC2)C#N)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H31N5O2S/c1-4-5-15-28-20(18-9-11-19(30-3)12-10-18)26-27-22(28)31-17(2)21(29)25-23(16-24)13-7-6-8-14-23/h9-12,17H,4-8,13-15H2,1-3H3,(H,25,29)