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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)acetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(4-phenoxyphenyl)acetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(4-phenoxyphenyl)acetamide Formula: C20H23N5O2S MolecularWeight: 397.49392

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23N5O2S/c1-2-3-9-18-23-24-20(25(18)21)28-14-19(26)22-15-10-12-17(13-11-15)27-16-7-5-4-6-8-16/h4-8,10-13H,2-3,9,14,21H2,1H3,(H,22,26)