N-(1,3-benzodioxol-5-ylmethyl)-2-propylsulfanyl-pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-2-propylsulfanyl-pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-2-propylsulfanyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-2-(propylthio)-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-2-propylsulfanylpyridine-3-carboxamide Traditional Name: N-piperonyl-2-(propylthio)nicotinamide Formula: C17H18N2O3S MolecularWeight: 330.40142

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Descriptors Computed from Structure

Canonical SMILES:

CCCSC1=C(C=CC=N1)C(=O)NCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCCSC1=C(C=CC=N1)C(=O)NCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C17H18N2O3S/c1-2-8-23-17-13(4-3-7-18-17)16(20)19-10-12-5-6-14-15(9-12)22-11-21-14/h3-7,9H,2,8,10-11H2,1H3,(H,19,20)