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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propanamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)propanamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)propionamide Formula: C21H25N5O2S MolecularWeight: 411.5205

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

Isomeric SMILES

CCCCC1=NN=C(N1N)SC(C)C(=O)NC2=CC=C(C=C2)OC3=CC=CC=C3

InChI

InChI=1S/C21H25N5O2S/c1-3-4-10-19-24-25-21(26(19)22)29-15(2)20(27)23-16-11-13-18(14-12-16)28-17-8-6-5-7-9-17/h5-9,11-15H,3-4,10,22H2,1-2H3,(H,23,27)