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

Systemtic Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide Openeye Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide CAS Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-[(cyclohexylamino)-oxomethyl]propanamide IUPAC Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(cyclohexylcarbamoyl)propanamide Traditional Name: 2-[[4-butyl-5-(4-methoxyphenyl)-1,2,4-triazol-3-yl]thio]-N-(cyclohexylcarbamoyl)propionamide Formula: C23H33N5O3S MolecularWeight: 459.60482

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=NN=C1SC(C)C(=O)NC(=O)NC2CCCCC2)C3=CC=C(C=C3)OC

Isomeric SMILES

CCCCN1C(=NN=C1SC(C)C(=O)NC(=O)NC2CCCCC2)C3=CC=C(C=C3)OC

InChI

InChI=1S/C23H33N5O3S/c1-4-5-15-28-20(17-11-13-19(31-3)14-12-17)26-27-23(28)32-16(2)21(29)25-22(30)24-18-9-7-6-8-10-18/h11-14,16,18H,4-10,15H2,1-3H3,(H2,24,25,29,30)