3-(1,3-benzodioxol-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide

Systemtic Name: 3-(1,3-benzodioxol-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Openeye Name: 3-(1,3-benzodioxol-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide CAS Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propanamide IUPAC Name: 3-(1,3-benzodioxol-5-yl)-N-(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)propanamide Traditional Name: 3-(1,3-benzodioxol-5-yl)-N-[5-(ethylthio)-1,3,4-thiadiazol-2-yl]propionamide Formula: C14H15N3O3S2 MolecularWeight: 337.4172

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Descriptors Computed from Structure

Canonical SMILES:

CCSC1=NN=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CCSC1=NN=C(S1)NC(=O)CCC2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C14H15N3O3S2/c1-2-21-14-17-16-13(22-14)15-12(18)6-4-9-3-5-10-11(7-9)20-8-19-10/h3,5,7H,2,4,6,8H2,1H3,(H,15,16,18)