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

Systemtic Name: 2-[(4-azanyl-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-ethanamide Openeye Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethyl-acetamide CAS Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide IUPAC Name: 2-[(4-amino-1,2,4-triazol-3-yl)sulfanyl]-N-(1,3-benzodioxol-5-ylmethyl)-N-ethylacetamide Traditional Name: 2-[(4-amino-1,2,4-triazol-3-yl)thio]-N-ethyl-N-piperonyl-acetamide Formula: C14H17N5O3S MolecularWeight: 335.38148

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=CN3N

Isomeric SMILES

CCN(CC1=CC2=C(C=C1)OCO2)C(=O)CSC3=NN=CN3N

InChI

InChI=1S/C14H17N5O3S/c1-2-18(13(20)7-23-14-17-16-8-19(14)15)6-10-3-4-11-12(5-10)22-9-21-11/h3-5,8H,2,6-7,9,15H2,1H3