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

Systemtic Name: 2-[(4-azanyl-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)ethanamide Openeye Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide CAS Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)acetamide IUPAC Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)acetamide Traditional Name: 2-[(4-amino-5-tert-butyl-1,2,4-triazol-3-yl)thio]-N-piperonyl-acetamide Formula: C16H21N5O3S MolecularWeight: 363.43464

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=NN=C(N1N)SCC(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC(C)(C)C1=NN=C(N1N)SCC(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C16H21N5O3S/c1-16(2,3)14-19-20-15(21(14)17)25-8-13(22)18-7-10-4-5-11-12(6-10)24-9-23-11/h4-6H,7-9,17H2,1-3H3,(H,18,22)