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

Systemtic Name: 2-[(5-azanyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butoxyphenyl)ethanamide Openeye Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butoxyphenyl)acetamide CAS Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-butoxyphenyl)acetamide IUPAC Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-butoxyphenyl)acetamide Traditional Name: 2-[(5-amino-1H-1,2,4-triazol-3-yl)thio]-N-(4-butoxyphenyl)acetamide Formula: C14H19N5O2S MolecularWeight: 321.39796

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)N

Isomeric SMILES

CCCCOC1=CC=C(C=C1)NC(=O)CSC2=NNC(=N2)N

InChI

InChI=1S/C14H19N5O2S/c1-2-3-8-21-11-6-4-10(5-7-11)16-12(20)9-22-14-17-13(15)18-19-14/h4-7H,2-3,8-9H2,1H3,(H,16,20)(H3,15,17,18,19)