N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide

Systemtic Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Openeye Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide CAS Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propanamide IUPAC Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide Traditional Name: N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(1-phenyl-1,2,4-triazol-3-yl)thio]propionamide Formula: C19H18N4O3S MolecularWeight: 382.43622

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN(C=N3)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)SC3=NN(C=N3)C4=CC=CC=C4

InChI

InChI=1S/C19H18N4O3S/c1-13(27-19-20-12-23(22-19)15-5-3-2-4-6-15)18(24)21-14-7-8-16-17(11-14)26-10-9-25-16/h2-8,11-13H,9-10H2,1H3,(H,21,24)