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

Systemtic Name: 2-[(4-azanyl-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)ethanamide Openeye Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide CAS Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)acetamide IUPAC Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1-phenylethyl)acetamide Traditional Name: 2-[(4-amino-5-butyl-1,2,4-triazol-3-yl)thio]-N-(1-phenylethyl)acetamide Formula: C16H23N5OS MolecularWeight: 333.45172

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Descriptors Computed from Structure

Canonical SMILES:

CCCCC1=NN=C(N1N)SCC(=O)NC(C)C2=CC=CC=C2

Isomeric SMILES

CCCCC1=NN=C(N1N)SCC(=O)NC(C)C2=CC=CC=C2

InChI

InChI=1S/C16H23N5OS/c1-3-4-10-14-19-20-16(21(14)17)23-11-15(22)18-12(2)13-8-6-5-7-9-13/h5-9,12H,3-4,10-11,17H2,1-2H3,(H,18,22)