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

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)ethanamide Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-yl)acetamide Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-yl)acetamide Formula: C15H19N5O3S MolecularWeight: 349.40806

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)NC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C15H19N5O3S/c1-15(2,3)13-18-19-14(20(13)16)24-7-12(21)17-9-4-5-10-11(6-9)23-8-22-10/h4-6H,7-8,16H2,1-3H3,(H,17,21)