N-(1,3-benzodioxol-5-ylmethyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide

Systemtic Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(phenylmethylsulfanyl)pyridine-3-carboxamide Openeye Name: N-(1,3-benzodioxol-5-ylmethyl)-6-benzylsulfanyl-pyridine-3-carboxamide CAS Name: N-(1,3-benzodioxol-5-ylmethyl)-6-(phenylmethylthio)-3-pyridinecarboxamide IUPAC Name: N-(1,3-benzodioxol-5-ylmethyl)-6-benzylsulfanylpyridine-3-carboxamide Traditional Name: 6-(benzylthio)-N-piperonyl-nicotinamide Formula: C21H18N2O3S MolecularWeight: 378.44422

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Descriptors Computed from Structure

Canonical SMILES:

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN=C(C=C3)SCC4=CC=CC=C4

Isomeric SMILES

C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=CN=C(C=C3)SCC4=CC=CC=C4

InChI

InChI=1S/C21H18N2O3S/c24-21(23-11-16-6-8-18-19(10-16)26-14-25-18)17-7-9-20(22-12-17)27-13-15-4-2-1-3-5-15/h1-10,12H,11,13-14H2,(H,23,24)